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

*Links on SpectraBase are not permalinks.
3-Chloro-N-[7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
SpectraBase Compound ID I0CzQtiqark
InChI InChI=1S/C21H22ClN5O2/c1-29-16-9-7-15(8-10-16)18-13-17(14-5-3-2-4-6-14)23-21-25-20(26-27(18)21)24-19(28)11-12-22/h2-10,17-18H,11-13H2,1H3,(H2,23,24,25,26,28)
InChIKey FBSBNUHSSRWQMY-UHFFFAOYSA-N
Mol Weight 411.89 g/mol
Molecular Formula C21H22ClN5O2
Exact Mass 411.146203 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 3XLeKOh4MvP
Name 3-Chloro-N-[7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClN5O2
InChI InChI=1S/C21H22ClN5O2/c1-29-16-9-7-15(8-10-16)18-13-17(14-5-3-2-4-6-14)23-21-25-20(26-27(18)21)24-19(28)11-12-22/h2-10,17-18H,11-13H2,1H3,(H2,23,24,25,26,28)
InChIKey FBSBNUHSSRWQMY-UHFFFAOYSA-N
Molecular Weight 411.893 g/mol
SMILES N(c1n[n]2c(n1)NC(CC2c1ccc(cc1)OC)c1ccccc1)C(CCCl)=O
SPLASH splash10-001c-9420000000-26c369a89c3fed9874a3
Source of Spectrum F-70-693-3a
Synonyms 3-Chloro-N-(7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
Wiley ID 1742587