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(3aS,7aR)-2-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SpectraBase Compound ID EUx7R0XDEJm
InChI InChI=1S/C9H13NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h6-7H,2-5H2,1H3/t6-,7+
InChIKey PGHYPCPNTBGZLQ-KNVOCYPGSA-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 Fldx2mtOEXT
Name (3aS,7aR)-2-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CAS Registry Number 64090-28-4
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/t6-,7+
InChIKey PGHYPCPNTBGZLQ-KNVOCYPGSA-N
Molecular Weight 167.208 g/mol
SMILES C1(N(C([C@]2(CCCC[C@@]12[H])[H])=O)C)=O
SPLASH splash10-0159-9200000000-7bd31ab9741d1a0a4bbc
Source of Spectrum H-60-1466-0
Synonyms (3aS,7aR)-2-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone
Wiley ID 1163621