| SpectraBase Spectrum ID |
K04NpGjD7Ug |
| Name |
2-(2-(2-Phenyl-5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)isoindoline-1,3-dione |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H14N4O2S |
| InChI |
InChI=1S/C22H14N4O2S/c27-20-15-10-4-5-11-16(15)21(28)25(20)18-13-7-6-12-17(18)19-23-22(29)24-26(19)14-8-2-1-3-9-14/h1-13H,(H,24,29) |
| InChIKey |
PYRQIPDVVGFOIA-UHFFFAOYSA-N |
| Instrument Name |
Kratos Model MS 25 (Magnetic Sector) or HP Model MS-5988 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2287 |
| Molecular Weight |
398.440 g/mol |
| SMILES |
N1N(C(=NC1=S)c1c(N2C(c3c(cccc3)C2=O)=O)cccc1)c1ccccc1 |
| SPLASH |
splash10-001i-9200000000-e036e06ef6baf15a000e |
| Source of Spectrum |
Y-53-491-12 |
| Wiley ID |
1877613 |
