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1H-Indene-1-carbonitrile, 2,3,5,6,7,7a-hexahydro-1-hydroxy-7a-methyl-5-oxo-, cis-
SpectraBase Compound ID Ddro7rxCgf9
InChI InChI=1S/C11H13NO2/c1-10-4-3-9(13)6-8(10)2-5-11(10,14)7-12/h6,14H,2-5H2,1H3/t10-,11+/m0/s1
InChIKey GLGTXUAGMVOFQQ-WDEREUQCSA-N
Mol Weight 191.23 g/mol
Molecular Formula C11H13NO2
Exact Mass 191.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6KztADBbY7
Name 1H-Indene-1-carbonitrile, 2,3,5,6,7,7a-hexahydro-1-hydroxy-7a-methyl-5-oxo-, cis-
Alternate Name(s) (1S,7aS)-1-hydroxy-7a-methyl-5-oxo-2,3,5,6,7,7a-hexahydro-1H-indene-1-carbonitrile 1.beta.-hydroxy-7a.beta.-methyl-5-oxo-2,3,5,6,7,7a-hexahydro-1H-indene-1.alpha.-carbonitrile
CAS Registry Number 85573-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO2
InChI InChI=1S/C11H13NO2/c1-10-4-3-9(13)6-8(10)2-5-11(10,14)7-12/h6,14H,2-5H2,1H3/t10-,11+/m0/s1
InChIKey GLGTXUAGMVOFQQ-WDEREUQCSA-N
Molecular Weight 191.230 g/mol
SMILES O[C@@]1([C@@]2(C(=CC(CC2)=O)CC1)C)C#N
SPLASH splash10-00b9-6900000000-5624d87fcc96bbce50c9
Source of Spectrum B-36-133-0
Wiley ID 1187500