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1-Azaspiro[5.5]undecan-9-one, 7-butyl-1-(phenylmethyl)-, cis-(.+-.)-
SpectraBase Compound ID Id700XUnwpq
InChI InChI=1S/C21H31NO/c1-2-3-11-19-16-20(23)12-14-21(19)13-7-8-15-22(21)17-18-9-5-4-6-10-18/h4-6,9-10,19H,2-3,7-8,11-17H2,1H3/t19-,21-/m1/s1
InChIKey AGPSNMKFIMPMMC-TZIWHRDSSA-N
Mol Weight 313.49 g/mol
Molecular Formula C21H31NO
Exact Mass 313.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wfK5di2uXJ
Name 1-Azaspiro[5.5]undecan-9-one, 7-butyl-1-(phenylmethyl)-, cis-(.+-.)-
CAS Registry Number 88204-68-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO
InChI InChI=1S/C21H31NO/c1-2-3-11-19-16-20(23)12-14-21(19)13-7-8-15-22(21)17-18-9-5-4-6-10-18/h4-6,9-10,19H,2-3,7-8,11-17H2,1H3/t19-,21-/m1/s1
InChIKey AGPSNMKFIMPMMC-TZIWHRDSSA-N
Molecular Weight 313.485 g/mol
SMILES [C@@]12(N(CCCC2)Cc2ccccc2)[C@@](CC(CC1)=O)(CCCC)[H]
SPLASH splash10-0udl-6091000000-ae3c69e7dee42e380f4b
Source of Spectrum KC-1983-1423-0
Synonyms (6R,7R)-1-benzyl-7-butyl-1-azaspiro[5.5]undecan-9-one 1-Benzyl-7-butyl-1-azaspiro[5.5]undecan-9-one (isomer a)
Wiley ID 1314473