| SpectraBase Spectrum ID |
AlL87XYBkbv |
| Name |
3-Butyl-6-phenethyl-2-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazin-5-one |
| Alternate Name(s) |
3-Butyl-6-(2-phenylethyl)-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-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 |
| Wiley ID |
863093 |
![3-Butyl-6-phenethyl-2-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazin-5-one](/api/spectrum/AlL87XYBkbv/structure.png?h=300&w=458 "3-Butyl-6-phenethyl-2-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazin-5-one")
