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1H-Azepine-2,5-dione, 4-isopropyl-7-methyl-
SpectraBase Compound ID HSQ1DRIxqi1
InChI InChI=1S/C10H13NO2/c1-6(2)8-5-10(13)11-7(3)4-9(8)12/h4-6H,1-3H3,(H,11,13)
InChIKey JBXMVZXHBBIACC-UHFFFAOYSA-N
Mol Weight 179.22 g/mol
Molecular Formula C10H13NO2
Exact Mass 179.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID R34prp0sK
Name 1H-Azepine-2,5-dione, 4-isopropyl-7-methyl-
CAS Registry Number 10315-42-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO2
InChI InChI=1S/C10H13NO2/c1-6(2)8-5-10(13)11-7(3)4-9(8)12/h4-6H,1-3H3,(H,11,13)
InChIKey JBXMVZXHBBIACC-UHFFFAOYSA-N
Molecular Weight 179.219 g/mol
SMILES N1C(C=C(C(C=C1C)=O)C(C)C)=O
SPLASH splash10-0nmr-4900000000-348f63ec91ef571f85de
Source of Spectrum AD-0-5251-0
Synonyms 4-Isopropyl-7-methyl-1H-azepine-2,5-dione 2,5-Dioxo-7-methyl-4-isopropyl-2,5-dihydro-1H-azepine 4-isopropyl-7-methyl-1H-azepine-2,5-quinone 7-Methyl-4-propan-2-yl-1H-azepine-2,5-dione
Wiley ID 1175238