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
2-Phenylacetic acid 103-82-2 mono 999 WLJVXDMOQOGPHL-UHFFFAOYSA-N C1=CC=C(C=C1)CC(=O)O
5-decanol sum of isomers 99868 SZMNDOUFZGODBR-UHFFFAOYSA-N CCCCCC(CCCC)O
phenyl acetaldehyde 122-78-1 mono 998 DTUQWGWMVIHBKE-UHFFFAOYSA-N C1=CC=C(C=C1)CC=O
19-Nortestosterone 434-22-0 mono 9904 NPAGDVCDWIYMMC-IZPLOLCNSA-N C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C ...
Sulcatone mono 9862 UHEPJGULSIKKTP-UHFFFAOYSA-N CC(=CCCC(=O)C)C
palmitic acid 57-10-3 mono 985 IPCSVZSSVZVIGE-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)O
(5E)-3-methylcyclopentadec-5-en-1-one mono 9834606 NKMKFQCVDZVEJR-CSKARUKUSA-N CC1C/C=C/CCCCCCCCCC(=O)C1
Methyl tuberate sum of isomers 97707 LOQFOBUZYRBURV-UHFFFAOYSA-N CCCCCC1C(CC(=O)O1)C
Hydroxypyruvic acid 1113-60-6 mono 964 HHDDCCUIIUWNGJ-UHFFFAOYSA-N C(C(=O)C(=O)O)O
Diethyl sulfide mono 9609 LJSQFQKUNVCTIA-UHFFFAOYSA-N CCSCC
1-octanol 111-87-5 mono 957 KBPLFHHGFOOTCA-UHFFFAOYSA-N CCCCCCCCO
jasmorange sum of isomers 95594 SGVBCLGVIOFAFT-UHFFFAOYSA-N CC1=CC=C(C=C1)CC(C)C=O
2-Methyl-3-phenylpropanal sum of isomers 95593 HEPHYCJJLAUKSB-UHFFFAOYSA-N CC(CC1=CC=CC=C1)C=O
3-methylhexanoic acid sum of isomers 95315 NZQMQVJXSRMTCJ-UHFFFAOYSA-N CCCC(C)CC(=O)O
Piperonyl acetate mono 9473 PFWYHTORQZAGCA-UHFFFAOYSA-N CC(=O)OCC1=CC2=C(C=C1)OCO2
3-Phenyl-1-butanol 2722-36-3 sum of isomers 94243 SQGBBDFDRHDJCJ-UHFFFAOYSA-N CC(CCO)C1=CC=CC=C1
Empetal sum of isomers 93199 MQBIZQLCHSZBOI-UHFFFAOYSA-N CC(=CCCC1=CCC(CC1)C=O)C
Allyl benzene mono 9309 HJWLCRVIBGQPNF-UHFFFAOYSA-N C=CCC1=CC=CC=C1
androstadienone 4075-07-4 mono 92979 HNDHDMOSWUAEAW-VMXHOPILSA-N C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CCC4=C ...
Orotidine 314-50-1 mono 92751 FKCRAVPPBFWEJD-XVFCMESISA-N C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C ...
pyrazine 290-37-9 mono 9261 KYQCOXFCLRTKLS-UHFFFAOYSA-N C1=CN=CC=N1
thiazol mono 9256 FZWLAAWBMGSTSO-UHFFFAOYSA-N C1=CSC=N1
cashmeran sum of isomers 92292 MIZGSAALSYARKU-UHFFFAOYSA-N CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
Alpha-n-phenylacetyl-l-glutamine 28047-15-6 mono 92258 JFLIEFSWGNOPJJ-JTQLQIEISA-N C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O ...
(+)-Camphene mono 92221 CRPUJAZIXJMDBK-DTWKUNHWSA-N CC1([C@@H]2CC[C@@H](C2)C1=C)C
Traseolide sum of isomers 91696 IMRYETFJNLKUHK-UHFFFAOYSA-N CC1C(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)C(C) ...
r-limonene sum of isomers 91691547 JRFITZGBELIFQM-UHFFFAOYSA-N CC(=C)C1CCC2(OC(C1)OO2)C
lyral 31906-04-4 sum of isomers 91604 ORMHZBNNECIKOH-UHFFFAOYSA-N CC(C)(CCCC1=CCC(CC1)C=O)O
galaxolide 1222-05-5 sum of isomers 91497 ONKNPOPIGWHAQC-UHFFFAOYSA-N CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
(+)-Limonene oxide,mixture of cis and trans sum of isomers 91496 CCEFMUBVSUDRLG-UHFFFAOYSA-N CC(=C)C1CCC2(C(C1)O2)C