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7-Chloranyl-1-[(4-chlorophenyl)methyl]-5H-[1,2,3]triazolo[4,5-b][1,5]benzoxazepin-4-one
SpectraBase Compound ID 3j0L0eGdAb1
InChI InChI=1S/C16H10Cl2N4O2/c17-10-3-1-9(2-4-10)8-22-16-14(20-21-22)15(23)19-12-7-11(18)5-6-13(12)24-16/h1-7H,8H2,(H,19,23)
InChIKey NWTPQJWGEXIZAN-UHFFFAOYSA-N
Mol Weight 361.19 g/mol
Molecular Formula C16H10Cl2N4O2
Exact Mass 360.018081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjYMk5CG7ep
Name 7-Chloranyl-1-[(4-chlorophenyl)methyl]-5H-[1,2,3]triazolo[4,5-b][1,5]benzoxazepin-4-one
CAS Registry Number 106157-44-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10Cl2N4O2
InChI InChI=1S/C16H10Cl2N4O2/c17-10-3-1-9(2-4-10)8-22-16-14(20-21-22)15(23)19-12-7-11(18)5-6-13(12)24-16/h1-7H,8H2,(H,19,23)
InChIKey NWTPQJWGEXIZAN-UHFFFAOYSA-N
Molecular Weight 361.188 g/mol
SMILES N1c2c(Oc3c(C1=O)nn[n]3Cc1ccc(cc1)Cl)ccc(c2)Cl
SPLASH splash10-004i-0900000000-f4965ce5bd288f8c7542
Source of Spectrum Y-22-1697-0
Synonyms 7-Chloro-1-(4-chlorobenzyl)-5H-triazolo[4,5-b][1,5]benzoxazepin-4-one 7-Chloro-1-[(4-chlorophenyl)methyl]-5H-triazolo[4,5-b][1,5]benzoxazepin-4-one
Wiley ID 1348060