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1-Azaspiro[5.5]undecan-8-ol, 7-butyl-1-(phenylmethyl)-, (6.alpha.,7.alpha.,8.beta.)-(.+-.)-
SpectraBase Compound ID IW00mA2vwuU
InChI InChI=1S/C21H33NO/c1-2-3-12-19-20(23)13-9-15-21(19)14-7-8-16-22(21)17-18-10-5-4-6-11-18/h4-6,10-11,19-20,23H,2-3,7-9,12-17H2,1H3/t19-,20+,21-/m1/s1
InChIKey VWFPITKQLTZNAK-QHAWAJNXSA-N
Mol Weight 315.5 g/mol
Molecular Formula C21H33NO
Exact Mass 315.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjguthhWTk6
Name 1-Azaspiro[5.5]undecan-8-ol, 7-butyl-1-(phenylmethyl)-, (6.alpha.,7.alpha.,8.beta.)-(.+-.)-
CAS Registry Number 83602-28-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO
InChI InChI=1S/C21H33NO/c1-2-3-12-19-20(23)13-9-15-21(19)14-7-8-16-22(21)17-18-10-5-4-6-11-18/h4-6,10-11,19-20,23H,2-3,7-9,12-17H2,1H3/t19-,20+,21-/m1/s1
InChIKey VWFPITKQLTZNAK-QHAWAJNXSA-N
Molecular Weight 315.501 g/mol
SMILES O[C@@]1([C@]([C@]2(N(Cc3ccccc3)CCCC2)CCC1)(CCCC)[H])[H]
SPLASH splash10-0f76-9542000000-b00dd8475069de1f18a4
Source of Spectrum KC-1983-1424-0
Synonyms (6R,7S,8S)-1-benzyl-7-butyl-1-azaspiro[5.5]undecan-8-ol N-Benzyl-6-epidepentylperhydrohistrionicotoxin
Wiley ID 1316220