New Database Available - Released on 23/03/2024.
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molecules
Showing 1 to 30 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
p-cymene 99-87-6 mono 7463 HFPZCAJZSCWRBC-UHFFFAOYSA-N CC1=CC=C(C=C1)C(C)C
acetophenone 98-86-2 mono 7410 KWOLFJPFCHCOCG-UHFFFAOYSA-N CC(=O)C1=CC=CC=C1
isopropylbenzene 98-82-8 mono 7406 RWGFKTVRMDUZSP-UHFFFAOYSA-N CC(C)C1=CC=CC=C1
terpineol 98-55-5 sum of isomers 17100 WUOACPNHFRMFPN-UHFFFAOYSA-N CC1=CCC(CC1)C(C)(C)O
tert-butylbenzene 98-06-6 mono 7366 YTZKOQUCBOVLHL-UHFFFAOYSA-N CC(C)(C)C1=CC=CC=C1
isoeugenol 97-54-1 mono 853433 BJIOGJUNALELMI-ONEGZZNKSA-N C/C=C/C1=CC(=C(C=C1)O)OC
eugenol 97-53-0 mono 3314 RRAFCDWBNXTKKO-UHFFFAOYSA-N COC1=C(C=CC(=C1)CC=C)O
Normetanephrine 97-31-4 sum of isomers 1237 YNYAYWLBAHXHLL-UHFFFAOYSA-N COC1=C(C=CC(=C1)C(CN)O)O
2,3-heptanedione 96-04-8 mono 60983 FJPGAMCQJNLTJC-UHFFFAOYSA-N CCCCC(=O)C(=O)C
Lipoamide 940-69-2 sum of isomers 863 FCCDDURTIIUXBY-UHFFFAOYSA-N C1CSSC1CCCCC(=O)N
methyl benzoate 93-58-3 mono 7150 QPJVMBTYPHYUOC-UHFFFAOYSA-N COC(=O)C1=CC=CC=C1
2-methoxy-4-methylphenol 93-51-6 mono 7144 PETRWTHZSKVLRE-UHFFFAOYSA-N CC1=CC(=C(C=C1)O)OC
eugenol acetate 93-28-7 mono 7136 SCCDQYPEOIRVGX-UHFFFAOYSA-N CC(=O)OC1=C(C=C(C=C1)CC=C)OC
methyl beta-naphthyl ketone 93-08-3 mono 7122 XSAYZAUNJMRRIR-UHFFFAOYSA-N CC(=O)C1=CC2=CC=CC=C2C=C1
cis-3-hexen-1-ol 928-96-1 mono 5281167 UFLHIIWVXFIJGU-ARJAWSKDSA-N CC/C=C\CCO
D-alanyl-d-alanine 923-16-0 mono 5460362 DEFJQIDDEAULHB-QWWZWVQMSA-N C[C@H](C(=O)N[C@H](C)C(=O)O)N
coumarin 91-64-5 mono 323 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N C1=CC=C2C(=C1)C=CC(=O)O2
quinoline 91-22-5 mono 7047 SMWDFEZZVXVKRB-UHFFFAOYSA-N C1=CC=C2C(=C1)C=CC=N2
guaiacol 90-05-1 mono 460 LHGVFZTZFXWLCP-UHFFFAOYSA-N COC1=CC=CC=C1O
scentenal 86803-90-9 sum of isomers 163529 UOGMZEGKCNHMBF-UHFFFAOYSA-N COC1CC2CC1C3C2CC(C3)C=O
Methyl 2-methylbutanoate 868-57-5 sum of isomers 13357 OCWLYWIFNDCWRZ-UHFFFAOYSA-N CCC(C)C(=O)OC
Androstanedione 846-46-8 mono 222865 RAJWOBJTTGJROA-WZNAKSSCSA-N C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC ...
2,4-dimethyl-4-phenyloxolane 82461-14-1 sum of isomers 113514 GPMLJOOQCIHFET-UHFFFAOYSA-N CC1CC(CO1)(C)C2=CC=CC=C2
undecavertol 81782-77-6 mono 6441135 WSTQLNQRVZNEDV-CSKARUKUSA-N CCCCCC(/C(=C/CC)/C)O
alpha-pinene 80-56-8 sum of isomers 6654 GRWFGVWFFZKLTI-UHFFFAOYSA-N CC1=CCC2CC1C2(C)C
lilial 80-54-6 sum of isomers 228987 SDQFDHOLCGWZPU-UHFFFAOYSA-N CC(CC1=CC=C(C=C1)C(C)(C)C)C=O
3-(4-tert-butylphenyl)butanal 80-54-6 sum of isomers 6652 NKZPGPZCKPODMT-UHFFFAOYSA-N CC(CC=O)C1=CC=C(C=C1)C(C)(C)C
terpinyl acetate 80-26-2 sum of isomers 111037 IGODOXYLBBXFDW-UHFFFAOYSA-N CC1=CCC(CC1)C(C)(C)OC(=O)C
isobutyric acid 79-31-2 mono 6590 KQNPFQTWMSNSAP-UHFFFAOYSA-N CC(C)C(=O)O
propionic acid 79-09-4 mono 1032 XBDQKXXYIPTUBI-UHFFFAOYSA-N CCC(=O)O