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2-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SpectraBase Compound ID 8XvEqCdK25m
InChI InChI=1S/C9H13NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h6-7H,2-5H2,1H3
InChIKey PGHYPCPNTBGZLQ-UHFFFAOYSA-N
Mol Weight 167.21 g/mol
Molecular Formula C9H13NO2
Exact Mass 167.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGTzgyZ6eAC
Name 2-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Alternate Name(s) 2-Methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone
CAS Registry Number 83248-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO2
InChI InChI=1S/C9H13NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h6-7H,2-5H2,1H3
InChIKey PGHYPCPNTBGZLQ-UHFFFAOYSA-N
Molecular Weight 167.208 g/mol
SMILES C1(N(C(C2CCCCC12)=O)C)=O
SPLASH splash10-014i-8900000000-a1a2d21e4600d3b61725
Source of Spectrum J-47-4735-0
Wiley ID 1163625