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Benzoic acid, 4-(4-propylcyclohexyl)-, 4-cyano-4-ethylcyclohexyl ester
SpectraBase Compound ID 6C03O1rM3kD
InChI InChI=1S/C25H35NO2/c1-3-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)24(27)28-23-14-16-25(4-2,18-26)17-15-23/h10-13,19-20,23H,3-9,14-17H2,1-2H3
InChIKey ICYZDXHDGGZMJR-UHFFFAOYSA-N
Mol Weight 381.6 g/mol
Molecular Formula C25H35NO2
Exact Mass 381.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DeJTnajCIw
Name BENZOIC ACID, 4-(4-PROPYLCYCLOHEXYL)-, 4-CYANO-4-ETHYLCYCLOHEXYL ESTER
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Formula C25H35NO2
InChI InChI=1S/C25H35NO2/c1-3-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)24(27)28-23-14-16-25(4-2,18-26)17-15-23/h10-13,19-20,23H,3-9,14-17H2,1-2H3
InChIKey ICYZDXHDGGZMJR-UHFFFAOYSA-N
Molecular Weight 381.2659
SMILES CCCC1CCC(c2ccc(C(=O)OC3CCC(CC)(C#N)CC3)cc2)CC1
SPLASH splash10-004i-3390000000-c72d0eb6994ae2649bfa
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