3-Butyl-6-phenethyl-2-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazin-5-one

SpectraBase Compound ID	BnGljWzlPZg
InChI	InChI=1S/C29H29N7O/c1-2-3-13-27-30-29(37)26(19-16-21-9-5-4-6-10-21)33-36(27)20-22-14-17-23(18-15-22)24-11-7-8-12-25(24)28-31-34-35-32-28/h4-12,14-15,17-18H,2-3,13,16,19-20H2,1H3,(H,31,32,34,35)
InChIKey	UCFUXCKTSPMFAZ-UHFFFAOYSA-N Google Search
Mol Weight	491.6 g/mol
Molecular Formula	C29H29N7O
Exact Mass	491.243359 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	AlL87XYBkbv
Name	3-Butyl-6-phenethyl-2-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazin-5-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H29N7O
InChI	InChI=1S/C29H29N7O/c1-2-3-13-27-30-29(37)26(19-16-21-9-5-4-6-10-21)33-36(27)20-22-14-17-23(18-15-22)24-11-7-8-12-25(24)28-31-34-35-32-28/h4-12,14-15,17-18H,2-3,13,16,19-20H2,1H3,(H,31,32,34,35)
InChIKey	UCFUXCKTSPMFAZ-UHFFFAOYSA-N
Molecular Weight	491.599 g/mol
SMILES	[nH]1c(nnn1)-c1c(-c2ccc(CN3N=C(C(N=C3CCCC)=O)CCc3ccccc3)cc2)cccc1
SPLASH	splash10-0a4i-0090300000-b11a6f0bf738e0d4e221
Source of Spectrum	QA-46-58-19
Synonyms	3-Butyl-6-(2-phenylethyl)-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazin-5-one
Wiley ID	863093