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1H-Isoindol-1-one, 2,3,3a,4,7,7a-hexahydro-3-hydroxy-2-methyl-, (3.alpha.,3a.beta.,7a.beta.)-
SpectraBase Compound ID KGhqnbeIb0y
InChI InChI=1S/C9H13NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-3,6-8,11H,4-5H2,1H3/t6-,7+,8-/m1/s1
InChIKey XAUAHNMAFQJMOJ-GJMOJQLCSA-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 BEIWLuZyNid
Name 1H-Isoindol-1-one, 2,3,3a,4,7,7a-hexahydro-3-hydroxy-2-methyl-, (3.alpha.,3a.beta.,7a.beta.)-
CAS Registry Number 67311-21-1
Comments Removed - unrepairable contamination (DOP)
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/h2-3,6-8,11H,4-5H2,1H3/t6-,7+,8-/m1/s1
InChIKey XAUAHNMAFQJMOJ-GJMOJQLCSA-N
Molecular Weight 167.208 g/mol
SMILES O[C@]1(N(C([C@]2(CC=CC[C@@]12[H])[H])=O)C)[H]
SPLASH splash10-014i-2900000000-efe1b877f5d96c2f7d3b
Source of Spectrum F-34-185-0
Synonyms (3R,3aR,7aS)-3-hydroxy-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-one 2-Methyl-3-hydroxy-cis-3a,4,4,7a-tetrahydroisoindolin-1-one
Wiley ID 1163627