New Database Available - Released on 23/03/2024.
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molecules
Showing 241 to 270 of 771 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
Acetaminophen 5190374 mono 1983 RZVAJINKPMORJF-UHFFFAOYSA-N CC(=O)NC1=CC=C(C=C1)O
cyclopentenyl propionate musk sum of isomers 158410 RWSDULKUTPNPMB-UHFFFAOYSA-N CCC(=O)OCC(C)(C)CC1=C(CCC1C(=C)C)C
pyrrolidine mono 31268 RWRDLPDLKQPQOW-UHFFFAOYSA-N C1CCNC1
Pentamethylbenzaldehyde mono 263712 RWOZGGOKRKSHKN-UHFFFAOYSA-N CC1=C(C(=C(C(=C1C)C)C=O)C)C
1-butoxy-2-propanol 5131-66-8 sum of isomers 21210 RWNUSVWFHDHRCJ-UHFFFAOYSA-N CCCCOCC(C)O
isopropylbenzene 98-82-8 mono 7406 RWGFKTVRMDUZSP-UHFFFAOYSA-N CC(C)C1=CC=CC=C1
Benzophenone mono 3102 RWCCWEUUXYIKHB-UHFFFAOYSA-N C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
2-Methylfuran-3-thiol mono 34286 RUYNUXHHUVUINQ-UHFFFAOYSA-N CC1=C(C=CO1)S
p-Anethole mono 637563 RUVINXPYWBROJD-ONEGZZNKSA-N C/C=C/C1=CC=C(C=C1)OC
(-)-Perillaaldehyde mono 2724159 RUMOYJJNUMEFDD-SNVBAGLBSA-N CC(=C)[C@H]1CCC(=CC1)C=O
(+)-Perillaaldehyde mono 1548901 RUMOYJJNUMEFDD-JTQLQIEISA-N CC(=C)[C@@H]1CCC(=CC1)C=O
1,1,6-Trimethyl-1,2-dihydronaphthalene mono 121677 RTUMCNDCAVLXEP-UHFFFAOYSA-N CC1=CC2=C(C=C1)C(CC=C2)(C)C
cis-6-Nonenal mono 5362720 RTNPCOBSXBGDMO-ARJAWSKDSA-N CC/C=C\CCCCC=O
eugenol 97-53-0 mono 3314 RRAFCDWBNXTKKO-UHFFFAOYSA-N COC1=C(C=CC(=C1)CC=C)O
Floridile mono 22713151 RPLWLQJSZFPHGM-NSCUHMNNSA-N C/C=C/CCCCCCCC#N
(3R/3S)-3-Hydroxybutan-2-one, sum of isomers sum of isomers 179 ROWKJAVDOGWPAT-UHFFFAOYSA-N CC(C(=O)C)O
2,4-DNT 121-14-2 mono 8461 RMBFBMJGBANMMK-UHFFFAOYSA-N CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
3-Methylphenol mono 342 RLSSMJSEOOYNOY-UHFFFAOYSA-N CC1=CC(=CC=C1)O
methyl propionate mono 11124 RJUFJBKOKNCXHH-UHFFFAOYSA-N CCC(=O)OC
3-octanone mono 246728 RHLVCLIPMVJYKS-UHFFFAOYSA-N CCCCCC(=O)CC
ethyl decanoate 110-38-3 mono 8048 RGXWDWUGBIJHDO-UHFFFAOYSA-N CCCCCCCCCC(=O)OCC
3-hydroxy-3-methylhexanoic acid sum of isomers 16666688 RGRNSTGIHROKJB-UHFFFAOYSA-N CCCC(C)(CC(=O)O)O
N-Acetylglutamic acid 1188-37-0 mono 70914 RFMMMVDNIPUKGG-YFKPBYRVSA-N CC(=O)N[C@@H](CCC(=O)O)C(=O)O
2-methyl-3-sulfanylbutan-1-ol sum of isomers 6430892 RFMHFOPFUZZBAD-UHFFFAOYSA-N CC(CO)C(C)S
1,4-cineole mono 10106 RFFOTVCVTJUTAD-UHFFFAOYSA-N CC(C)C12CCC(O1)(CC2)C
heptyl isobutyrate mono 61304 RFDUMBPGZUIKOG-UHFFFAOYSA-N CCCCCCCOC(=O)C(C)C
carvacrol 499-75-2 mono 10364 RECUKUPTGUEGMW-UHFFFAOYSA-N CC1=C(C=C(C=C1)C(C)C)O
anisole mono 7519 RDOXTESZEPMUJZ-UHFFFAOYSA-N COC1=CC=CC=C1
L-glyceric acid 28305-26-2 mono 6326776 RBNPOMFGQQGHHO-REOHCLBHSA-N C([C@@H](C(=O)O)O)O
1,4-bis(4-Vinylphenoxy)butane mono 3847415 RAPXVKLHABTPOM-UHFFFAOYSA-N C=CC1=CC=C(C=C1)OCCCCOC2=CC=C(C=C2)C=C