New Database Available - Released on 29/09/2026.
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molecules
Showing 91 to 120 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Stearic Acid 57-11-4 Monomolecular 5281 QIQXTHQIDYTFRH-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCC(=O)O
Indole 120-72-9 Monomolecular 798 SIKJAQJRHWYJAI-UHFFFAOYSA-N C1=CC=C2C(=C1)C=CN2
Heptanoic Acid 111-14-8 Monomolecular 8094 MNWFXJYAOYHMED-UHFFFAOYSA-N CCCCCCC(=O)O
Decanal 112-31-2 Monomolecular 8175 KSMVZQYAVGTKIV-UHFFFAOYSA-N CCCCCCCCCC=O
delta-Decalactone 705-86-2 Sum of Isomers 12810 GHBSPIPJMLAMEP-UHFFFAOYSA-N CCCCCC1CCCC(=O)O1
Gamma-Decalactone 706-14-9 Sum of Isomers 12813 IFYYFLINQYPWGJ-UHFFFAOYSA-N CCCCCCC1CCC(=O)O1
Pentanoic Acid 109-52-4 Monomolecular 7991 NQPDZGIKBAWPEJ-UHFFFAOYSA-N CCCCC(=O)O
Skatole 83-34-1 Monomolecular 6736 ZFRKQXVRDFCRJG-UHFFFAOYSA-N CC1=CNC2=CC=CC=C12
7-Octenoic acid 18719-24-9 Monomolecular 543977 OZYYQTRHHXLTKX-UHFFFAOYSA-N C=CCCCCCC(=O)O
Myristic Acid 544-63-8 Monomolecular 11005 TUNFSRHWOTWDNC-UHFFFAOYSA-N CCCCCCCCCCCCCC(=O)O
Geraniol 106-24-1 Monomolecular 637566 GLZPCOQZEFWAFX-JXMROGBWSA-N CC(=CCC/C(=C/CO)/C)C
1-Dodecanol 112-53-8 Monomolecular 8193 LQZZUXJYWNFBMV-UHFFFAOYSA-N CCCCCCCCCCCCO
Tridecanoic acid 638-53-9 Monomolecular 12530 SZHOJFHSIKHZHA-UHFFFAOYSA-N CCCCCCCCCCCCC(=O)O
Androstenone 18339-16-7 Monomolecular 6852393 HFVMLYAGWXSTQI-QYXZOKGRSA-N C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@ ...
Lauric Acid 143-07-7 Monomolecular 3893 POULHZVOKOAJMA-UHFFFAOYSA-N CCCCCCCCCCCC(=O)O
Phenoxyethanol 122-99-6 Monomolecular 31236 QCDWFXQBSFUVSP-UHFFFAOYSA-N C1=CC=C(C=C1)OCCO
2,6-Dimethylcyclohexanol 5337-72-4 Sum of Isomers 21428 MOISVRZIQDQVPF-UHFFFAOYSA-N CC1CCCC(C1O)C
2-Penten-1-ol 20273-24-9 Monomolecular 5364920 BTSIZIIPFNVMHF-ONEGZZNKSA-N CC/C=C/CO
3-Nonen-1-ol, (3Z)- 10340-23-5 Monomolecular 5364631 IFTBJDZSLBRRMC-SREVYHEPSA-N CCCCC/C=C\CCO
4-Ethylguaiacol 2785-89-9 Monomolecular 62465 CHWNEIVBYREQRF-UHFFFAOYSA-N CCC1=CC(=C(C=C1)O)OC
Hexadecane 544-76-3 Monomolecular 11006 DCAYPVUWAIABOU-UHFFFAOYSA-N CCCCCCCCCCCCCCCC
2-Phenylethanol 60-12-8 Monomolecular 6054 WRMNZCZEMHIOCP-UHFFFAOYSA-N C1=CC=C(C=C1)CCO
Veratrole 91-16-7 Monomolecular 7043 ABDKAPXRBAPSQN-UHFFFAOYSA-N COC1=CC=CC=C1OC
(+)-Cyclosativene 22469-52-9 Sum of Isomers 138394132 XBWACJDEQIZTPR-VMTXFGJYSA-N CC(C)[C@@H]1CC[C@]2([C@H]3[C@@H]1C4C2([C ...
Linalool 78-70-6 Sum of Isomers 6549 CDOSHBSSFJOMGT-UHFFFAOYSA-N CC(=CCCC(C)(C=C)O)C
2-Octen-1-ol, (2E)- 18409-17-1 Monomolecular 5318599 AYQPVPFZWIQERS-VOTSOKGWSA-N CCCCC/C=C/CO
2,4-Heptadienal 5910-85-0 Monomolecular 5283321 SATICYYAWWYRAM-VNKDHWASSA-N CC/C=C/C=C/C=O
(2E)-Decenal 3913-81-3 Monomolecular 5283345 MMFCJPPRCYDLLZ-CMDGGOBGSA-N CCCCCCC/C=C/C=O
Oleamide 301-02-0 Monomolecular 5283387 FATBGEAMYMYZAF-KTKRTIGZSA-N CCCCCCCC/C=C\CCCCCCCC(=O)N
Linoleic Acid 60-33-3 Monomolecular 5280450 OYHQOLUKZRVURQ-HZJYTTRNSA-N CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
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