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7-Acetyl-2-methyl-2,3-dihydro-(1,5)benzoxazepin-4(5H)-thione

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7-Acetyl-2-methyl-2,3-dihydro-(1,5)benzoxazepin-4(5H)-thione
SpectraBase Compound ID AAPAnyCKSzx
InChI InChI=1S/C12H13NO2S/c1-7-5-12(16)13-10-6-9(8(2)14)3-4-11(10)15-7/h3-4,6-7H,5H2,1-2H3,(H,13,16)
InChIKey IWIJIDVEBJRMKL-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lCfcisVvmm
Name 1-(2-Methyl-4-sulfanylidene-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethanone
Alternate Name(s) 1-(2-Methyl-4-thioxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-7-yl)ethanone 1-(2-Methyl-4-thioxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethanone Benz[b](1,4)oxazepine, 7-acetyl-2-methyl-4-thioxo-
CAS Registry Number 134076-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-7-5-12(16)13-10-6-9(8(2)14)3-4-11(10)15-7/h3-4,6-7H,5H2,1-2H3,(H,13,16)
InChIKey IWIJIDVEBJRMKL-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES N1c2cc(ccc2OC(CC1=S)C)C(=O)C
SPLASH splash10-0f79-8950000000-f8aa92274b1692d3ad2d
Wiley ID 1475611