For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-benzyl-7-methyl-5H-triazolo[4,5-b][1,5]benzoxazepin-4-one
SpectraBase Compound ID J5LfaDnTb3e
InChI InChI=1S/C17H14N4O2/c1-11-7-8-14-13(9-11)18-16(22)15-17(23-14)21(20-19-15)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,22)
InChIKey TYASZLWXQIKVMP-UHFFFAOYSA-N
Mol Weight 306.32 g/mol
Molecular Formula C17H14N4O2
Exact Mass 306.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IPEP1POoqED
Name 1-benzyl-7-methyl-5H-triazolo[4,5-b][1,5]benzoxazepin-4-one
CAS Registry Number 106157-42-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N4O2
InChI InChI=1S/C17H14N4O2/c1-11-7-8-14-13(9-11)18-16(22)15-17(23-14)21(20-19-15)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,22)
InChIKey TYASZLWXQIKVMP-UHFFFAOYSA-N
Molecular Weight 306.325 g/mol
SMILES N1c2c(Oc3c(C1=O)nn[n]3Cc1ccccc1)ccc(c2)C
SPLASH splash10-0006-9002000000-7e894d56042d4a0fd755
Source of Spectrum Y-22-1697-0
Synonyms 7-methyl-1-(phenylmethyl)-5H-triazolo[4,5-b][1,5]benzoxazepin-4-one 7-methyl-1-(phenylmethyl)-5H-[1,2,3]triazolo[4,5-b][1,5]benzoxazepin-4-one
Wiley ID 1308014