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

*Links on SpectraBase are not permalinks.
3-[2-Amino-5-(4-methylphenyl)-7-phenyl-4,5,6,7-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl]propanoate
SpectraBase Compound ID L867i7PerHe
InChI InChI=1S/C21H23N5O2/c1-14-7-9-15(10-8-14)17-13-18(16-5-3-2-4-6-16)26-21(23-17)25(20(22)24-26)12-11-19(27)28/h2-10,17-18H,11-13H2,1H3,(H3,22,24,27,28)
InChIKey CJGGLVCJJRQBSA-UHFFFAOYSA-N
Mol Weight 377.45 g/mol
Molecular Formula C21H23N5O2
Exact Mass 377.185175 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 Ik9iJ4WgHlK
Name 3-[2-Amino-5-(4-methylphenyl)-7-phenyl-4,5,6,7-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N5O2
InChI InChI=1S/C21H23N5O2/c1-14-7-9-15(10-8-14)17-13-18(16-5-3-2-4-6-16)26-21(23-17)25(20(22)24-26)12-11-19(27)28/h2-10,17-18H,11-13H2,1H3,(H3,22,24,27,28)
InChIKey CJGGLVCJJRQBSA-UHFFFAOYSA-N
Molecular Weight 377.448 g/mol
SMILES Nc1n[n+]2c([n]1CCC([O-])=O)NC(CC2c1ccccc1)c1ccc(cc1)C
SPLASH splash10-0a4i-1309000000-3577f46f503bedc6abb8
Source of Spectrum F-70-699-17
Synonyms 3-(2-amino-7-phenyl-5-(p-tolyl)-4,5,6,7-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)propanoate
Wiley ID 1742552