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4H,6H-Imidazo[1,5-a][4,1]benzoxazepine-3-carbonitrile, 7-chloro-6-oxo-
SpectraBase Compound ID 1ctjxOtSbLE
InChI InChI=1S/C12H6ClN3O2/c13-7-2-1-3-9-11(7)12(17)18-5-10-8(4-14)15-6-16(9)10/h1-3,6H,5H2
InChIKey CAHOILARIQKQKF-UHFFFAOYSA-N
Mol Weight 259.65 g/mol
Molecular Formula C12H6ClN3O2
Exact Mass 259.014854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfzafDAHXB9
Name 4H,6H-Imidazo[1,5-a][4,1]benzoxazepine-3-carbonitrile, 7-chloro-6-oxo-
CAS Registry Number 127603-64-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6ClN3O2
InChI InChI=1S/C12H6ClN3O2/c13-7-2-1-3-9-11(7)12(17)18-5-10-8(4-14)15-6-16(9)10/h1-3,6H,5H2
InChIKey CAHOILARIQKQKF-UHFFFAOYSA-N
Molecular Weight 259.652 g/mol
SMILES c12[n](cnc2C#N)-c2c(C(OC1)=O)c(ccc2)Cl
SPLASH splash10-001i-0950000000-0591b7fd319e473302ad
Source of Spectrum KC-1989-1890-5
Synonyms 7-Chloro-3-cyano-5,6-dihydro-4H-imidazo[1,5-a][4,1]benzoxazepin-6-one 7-chloro-6-oxo-4H,6H-imidazo[1,5-a][4,1]benzoxazepine-3-carbonitrile 7-chloro-6-oxo-4H-imidazo[1,5-a][4,1]benzoxazepine-3-carbonitrile 7-chloranyl-6-oxidanylidene-4H-imidazo[1,5-a][4,1]benzoxazepine-3-carbonitrile
Wiley ID 1262530