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

*Links on SpectraBase are not permalinks.
8-Chloro-6-(phenyl-d5)-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine
SpectraBase Compound ID 1tabkE3pxkr
InChI InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2/i1D,2D,3D,4D,5D
InChIKey CDCHDCWJMGXXRH-RALIUCGRSA-N
Mol Weight 299.78 g/mol
Molecular Formula C16H6D5ClN4
Exact Mass 299.098608 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 9qVcaJJPzqW
Name 8-Chloro-6-(phenyl-d5)-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H6D5ClN4
InChI InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2/i1D,2D,3D,4D,5D
InChIKey CDCHDCWJMGXXRH-RALIUCGRSA-N
Literature Reference DOI 10.1016/j.jchromb.2016.10.042
Molecular Weight 299.776 g/mol
SMILES c1(c(c(c(c(c1[D])[D])[D])C1=NCc2[n](-c3c1cc(cc3)Cl)cnn2)[D])[D]
SPLASH splash10-01ot-2490000000-f75dcf14a96fa73e759d
Source of Spectrum Mariah Carson, et al. Journal of Chromatography B, 10.1016/j.jchromb.2016.10.042
Wiley ID 1816733