| SpectraBase Spectrum ID |
2twxB8lgvY |
| Name |
Ethyl 4-(4-chlorophenyl)-5-((3-cyano-7-hydroxy-4-phenyl-4H-chromen-2-yl)imino)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H19ClN4O4S |
| InChI |
InChI=1S/C27H19ClN4O4S/c1-2-35-26(34)25-31-32(18-10-8-17(28)9-11-18)27(37-25)30-24-21(15-29)23(16-6-4-3-5-7-16)20-13-12-19(33)14-22(20)36-24/h3-14,23,33H,2H2,1H3 |
| InChIKey |
WRGKUSGRYKXPBS-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP 1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2695 |
| Molecular Weight |
530.986 g/mol |
| SMILES |
Oc1cc2OC(N=C3N(c4ccc(cc4)Cl)N=C(S3)C(=O)OCC)=C(C(c2cc1)c1ccccc1)C#N |
| SPLASH |
splash10-0a5i-7936320000-203355fa2de3ace06e41 |
| Source of Spectrum |
Y-54-1224-8f |
| Wiley ID |
1878116 |
