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Benzoic acid, 4-(decahydro-6-pentyl-2-naphthalenyl)-, propyl ester, (2.alpha.,4a.alpha.,6.beta.,8a.beta.)-
SpectraBase Compound ID 3e2QOCtiUNq
InChI InChI=1S/C25H38O2/c1-3-5-6-7-19-8-9-24-18-23(15-14-22(24)17-19)20-10-12-21(13-11-20)25(26)27-16-4-2/h10-13,19,22-24H,3-9,14-18H2,1-2H3/t19-,22-,23+,24+/m0/s1
InChIKey ZPUGNLLRUMJWKK-ZMUKGBGYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C25H38O2
Exact Mass 370.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64aYF8hMscQ
Name Benzoic acid, 4-(decahydro-6-pentyl-2-naphthalenyl)-, propyl ester, (2.alpha.,4a.alpha.,6.beta.,8a.beta.)-
Alternate Name(s) Propyl 4-[(2R,4aS,6S,8aR)-6-pentyldecahydro-2-naphthalenyl]benzoate Propyl 4-[6.beta.-pentyl-2.alpha.-(4a.alpha.,8a.beta.)-decahydronaphthyl]benzoate
CAS Registry Number 83838-60-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O2
InChI InChI=1S/C25H38O2/c1-3-5-6-7-19-8-9-24-18-23(15-14-22(24)17-19)20-10-12-21(13-11-20)25(26)27-16-4-2/h10-13,19,22-24H,3-9,14-18H2,1-2H3/t19-,22-,23+,24+/m0/s1
InChIKey ZPUGNLLRUMJWKK-ZMUKGBGYSA-N
Molecular Weight 370.577 g/mol
SMILES C(c1ccc([C@]2(C[C@]3(CC[C@@](C[C@@]3(CC2)[H])(CCCCC)[H])[H])[H])cc1)(=O)OCCC
SPLASH splash10-03fr-0319000000-a90fc87e66658297a8a2
Source of Spectrum H-65-1254-0
Wiley ID 1354679