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hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one
SpectraBase Compound ID EGhHUw9CFmm
InChI InChI=1S/C13H19NO2/c1-14-8-3-2-7-12(13(14)16)10-5-4-6-11(15)9-10/h9,12H,2-8H2,1H3
InChIKey XJZQHHIPUDRJGJ-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Low8BR9o0mD
Name HEXAHYDRO-1-METHYL-3-(3-OXO-1-CYCLOHEXEN-1-YL)-2H-AZEPIN-2-ONE
Source of Sample A. C. White, Wyeth Laboratories, Berkshire, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-14-8-3-2-7-12(13(14)16)10-5-4-6-11(15)9-10/h9,12H,2-8H2,1H3
InChIKey XJZQHHIPUDRJGJ-UHFFFAOYSA-N
Melting Point 109-110C
Molecular Weight 221.30
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2H-AZEPIN-2-ONE, HEXAHYDRO-1-METHYL- 3-/3-OXO-1-CYCLOHEXEN-1-YL/-,