New Database Available - Released on 29/09/2026.
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molecules
Showing 241 to 270 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Musk ketone 81-14-1 Monomolecular 6669 WXCMHFPAUCOJIG-UHFFFAOYSA-N CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N ...
Neophytadiene 504-96-1 Sum of Isomers 10446 NIDGCIPAMWNKOA-UHFFFAOYSA-N CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C
Nerolidol 7212-44-4 Sum of Isomers 5284507 FQTLCLSUCSAZDY-SDNWHVSQSA-N CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C
N-Ethylmaleimide 128-53-0 Monomolecular 4362 HDFGOPSGAURCEO-UHFFFAOYSA-N CCN1C(=O)C=CC1=O
N-Methylbenzamide 613-93-4 Monomolecular 11954 NCCHARWOCKOHIH-UHFFFAOYSA-N CNC(=O)C1=CC=CC=C1
Nonane 111-84-2 Monomolecular 8141 BKIMMITUMNQMOS-UHFFFAOYSA-N CCCCCCCCC
Octacosane 630-02-4 Monomolecular 12408 ZYURHZPYMFLWSH-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCC
Octadecane 593-45-3 Monomolecular 11635 RZJRJXONCZWCBN-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCC
Ethyl stearate 111-61-5 Monomolecular 8122 MVLVMROFTAUDAG-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCC(=O)OCC
Octane 111-65-9 Monomolecular 356 TVMXDCGIABBOFY-UHFFFAOYSA-N CCCCCCCC
Octyl Palmitate 16958-85-3 Monomolecular 85651 OQILCOQZDHPEAZ-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)OCCCCCCCC
Olivetol 500-66-3 Monomolecular 10377 IRMPFYJSHJGOPE-UHFFFAOYSA-N CCCCCC1=CC(=CC(=C1)O)O
2'-Hydroxypropiophenone 610-99-1 Monomolecular 69133 KDUWXMIHHIVXER-UHFFFAOYSA-N CCC(=O)C1=CC=CC=C1O
Pentadecane 629-62-9 Monomolecular 12391 YCOZIPAWZNQLMR-UHFFFAOYSA-N CCCCCCCCCCCCCCC
3-Methyl-2-buten-1-OL 556-82-1 Monomolecular 11173 ASUAYTHWZCLXAN-UHFFFAOYSA-N CC(=CCO)C
Squalane 111-01-3 Sum of Isomers 8089 PRAKJMSDJKAYCZ-UHFFFAOYSA-N CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C ...
Squalene 111-02-4 Monomolecular 638072 YYGNTYWPHWGJRM-AAJYLUCBSA-N CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC ...
Tetradecanal 124-25-4 Monomolecular 31291 UHUFTBALEZWWIH-UHFFFAOYSA-N CCCCCCCCCCCCCC=O
Tetradecane 629-59-4 Monomolecular 12389 BGHCVCJVXZWKCC-UHFFFAOYSA-N CCCCCCCCCCCCCC
Triacetin 102-76-1 Monomolecular 5541 URAYPUMNDPQOKB-UHFFFAOYSA-N CC(=O)OCC(COC(=O)C)OC(=O)C
Undecane 1120-21-4 Monomolecular 14257 RSJKGSCJYJTIGS-UHFFFAOYSA-N CCCCCCCCCCC
Vanillin 121-33-5 Monomolecular 1183 MWOOGOJBHIARFG-UHFFFAOYSA-N COC1=C(C=CC(=C1)C=O)O
4-Hepten-1-ol, (4Z)- 6191-71-5 Monomolecular 5367536 CUKAXHVLXKIPKF-ARJAWSKDSA-N CC/C=C\CCCO
(+-)-alpha-Pinene 80-56-8 Sum of Isomers 6654 GRWFGVWFFZKLTI-UHFFFAOYSA-N CC1=CCC2CC1C2(C)C
beta-Cyclocitral 432-25-7 Monomolecular 9895 MOQGCGNUWBPGTQ-UHFFFAOYSA-N CC1=C(C(CCC1)(C)C)C=O
Beta-Elemene 515-13-9 Monomolecular 6918391 OPFTUNCRGUEPRZ-QLFBSQMISA-N CC(=C)[C@@H]1CC[C@@]([C@@H](C1)C(=C)C)(C ...
I2-Ionone 79-77-6 Monomolecular 638014 PSQYTAPXSHCGMF-BQYQJAHWSA-N CC1=C(C(CCC1)(C)C)/C=C/C(=O)C
(-)-beta-Pinene 18172-67-3 Monomolecular 440967 WTARULDDTDQWMU-IUCAKERBSA-N CC1([C@H]2CCC(=C)[C@@H]1C2)C
gamma-Hexalactone 695-06-7 Sum of Isomers 12756 JBFHTYHTHYHCDJ-UHFFFAOYSA-N CCC1CCC(=O)O1
(Z)-7-dodecenyl acetate 14959-86-5 Monomolecular 5363527 MUZGQHWTRUVFLG-SREVYHEPSA-N CCCC/C=C\CCCCCCOC(=O)C
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