| SpectraBase Spectrum ID |
DGsUc8TJZ5T |
| Name |
3-butyl-6-phenyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazin-5-one |
| Alternate Name(s) |
3-butyl-6-phenyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazin-5-one
3-butyl-6-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazin-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H25N7O |
| InChI |
InChI=1S/C27H25N7O/c1-2-3-13-24-28-29-25(21-9-5-4-6-10-21)27(35)34(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)26-30-32-33-31-26/h4-12,14-17H,2-3,13,18H2,1H3,(H,30,31,32,33) |
| InChIKey |
NSGBTPRMJFFGCI-UHFFFAOYSA-N |
| Molecular Weight |
463.545 g/mol |
| SMILES |
[nH]1c(nnn1)-c1c(-c2ccc(CN3C(C(c4ccccc4)=NN=C3CCCC)=O)cc2)cccc1 |
| SPLASH |
splash10-00di-0000900000-03ad70f320a008e25d6f |
| Source of Spectrum |
QA-46-58-16 |
| Wiley ID |
863095 |
![3-Butyl-6-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4H-[1,2,4]triazin-5-one](/api/spectrum/DGsUc8TJZ5T/structure.png?h=300&w=458 "3-Butyl-6-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4H-[1,2,4]triazin-5-one")
