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2-Benzyl-8a-methyl-3,4,4a,5,6,8a-hexahydro-6-hydroxy-1(2H)-isoquinolinone
SpectraBase Compound ID 2VJcgMM0n65
InChI InChI=1S/C17H21NO2/c1-17-9-7-15(19)11-14(17)8-10-18(16(17)20)12-13-5-3-2-4-6-13/h2-7,9,14-15,19H,8,10-12H2,1H3
InChIKey SSNPRRGYKMUFPW-UHFFFAOYSA-N
Mol Weight 271.36 g/mol
Molecular Formula C17H21NO2
Exact Mass 271.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hssieu1prj
Name 2-Benzyl-8a-methyl-3,4,4a,5,6,8a-hexahydro-6-hydroxy-1(2H)-isoquinolinone
Alternate Name(s) 2-Benzyl-6-hydroxy-8a-methyl-3,4,4a,5,6,8a-hexahydro-1(2H)-isoquinolinone
CAS Registry Number 114431-54-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c1-17-9-7-15(19)11-14(17)8-10-18(16(17)20)12-13-5-3-2-4-6-13/h2-7,9,14-15,19H,8,10-12H2,1H3
InChIKey SSNPRRGYKMUFPW-UHFFFAOYSA-N
Molecular Weight 271.360 g/mol
SMILES OC1CC2C(C(N(Cc3ccccc3)CC2)=O)(C=C1)C
SPLASH splash10-006x-7290000000-a6605604ad3477c85705
Source of Spectrum AJ-60-3266-22
Wiley ID 1275442