| SpectraBase Spectrum ID |
lVEnhvNPny |
| Name |
N-[(3-benzyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)methyl]ethanimidic acid |
| Appearance |
Brown powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H13N5O2S |
| InChI |
InChI=1S/C14H13N5O2S/c1-9(20)15-8-12-18-19-13(21)11(16-17-14(19)22-12)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,20) |
| InChIKey |
ATRQNHBETIPZOK-UHFFFAOYSA-N |
| Instrument Name |
Kratos MS equipment or Varian MAT 311A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2718 |
| Molecular Weight |
315.351 g/mol |
| SMILES |
OC(=NCC=1SC=2N(C(C(=NN2)Cc2ccccc2)=O)N1)C |
| SPLASH |
splash10-00kf-9300000000-e23ac688d6e162e9532c |
| Source of Spectrum |
Y-54-1388-4 |
| Thin-Layer Chromatography |
Rf = 0.34 (ethyl acetate/pet. ether (60:80), 4:2) |
| Wiley ID |
1878189 |
![N-[(3-benzyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)methyl]ethanimidic acid](/api/spectrum/lVEnhvNPny/structure.png?h=300&w=458 "N-[(3-benzyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)methyl]ethanimidic acid")
