For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Azaspiro[5.5]undecan-8-ol, 7-butyl-1-(phenylmethyl)-, acetate (ester), (6.alpha.,7.alpha.,8.beta.)-(.+-.)-
SpectraBase Compound ID DVNEU8xvB5K
InChI InChI=1S/C23H35NO2/c1-3-4-13-21-22(26-19(2)25)14-10-16-23(21)15-8-9-17-24(23)18-20-11-6-5-7-12-20/h5-7,11-12,21-22H,3-4,8-10,13-18H2,1-2H3/t21-,22+,23-/m1/s1
InChIKey JMUXIYMFNRTTPE-XPWALMASSA-N
Mol Weight 357.5 g/mol
Molecular Formula C23H35NO2
Exact Mass 357.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3FeA0acqDQL
Name 1-Azaspiro[5.5]undecan-8-ol, 7-butyl-1-(phenylmethyl)-, acetate (ester), (6.alpha.,7.alpha.,8.beta.)-(.+-.)-
CAS Registry Number 88244-72-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H35NO2
InChI InChI=1S/C23H35NO2/c1-3-4-13-21-22(26-19(2)25)14-10-16-23(21)15-8-9-17-24(23)18-20-11-6-5-7-12-20/h5-7,11-12,21-22H,3-4,8-10,13-18H2,1-2H3/t21-,22+,23-/m1/s1
InChIKey JMUXIYMFNRTTPE-XPWALMASSA-N
Molecular Weight 357.538 g/mol
SMILES [C@@]12(N(CCCC2)Cc2ccccc2)[C@@]([C@@](OC(=O)C)(CCC1)[H])(CCCC)[H]
SPLASH splash10-0002-0291000000-a6f0af6b2ccadbc3fb77
Source of Spectrum KC-1983-1424-0
Synonyms (6R,7S,8S)-1-benzyl-7-butyl-1-azaspiro[5.5]undec-8-yl acetate O-acetyl-N-benzyldepentylperhydrohistrionicotoxin (isomer b)
Wiley ID 1346616