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1H-Isoindole-4-carboxylic acid, octahydro-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-, methyl ester
SpectraBase Compound ID FeR2VCN4wSL
InChI InChI=1S/C16H27NO3/c1-8(2)6-12-13-10(4)9(3)7-11(16(19)20-5)14(13)15(18)17-12/h8-14H,6-7H2,1-5H3,(H,17,18)
InChIKey YIUNXWVPLORDKX-UHFFFAOYSA-N
Mol Weight 281.4 g/mol
Molecular Formula C16H27NO3
Exact Mass 281.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmXvpXFavPE
Name 1H-Isoindole-4-carboxylic acid, octahydro-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-, methyl ester
Alternate Name(s) Methyl 1-isobutyl-6,7-dimethyl-3-oxooctahydro-1H-isoindole-4-carboxylate Methyl ester of 1-isobutyl-6,7-dimethyl-3-oxo-perhydroisoindol-4-carboxylic acid
CAS Registry Number 72363-39-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27NO3
InChI InChI=1S/C16H27NO3/c1-8(2)6-12-13-10(4)9(3)7-11(16(19)20-5)14(13)15(18)17-12/h8-14H,6-7H2,1-5H3,(H,17,18)
InChIKey YIUNXWVPLORDKX-UHFFFAOYSA-N
Molecular Weight 281.396 g/mol
SMILES N1C(C2C(C1=O)C(CC(C2C)C)C(=O)OC)CC(C)C
SPLASH splash10-03kc-9750000000-6a169808d186093163d3
Source of Spectrum H-62-1521-0
Wiley ID 1284947