| SpectraBase Spectrum ID |
1iLt2dVxyK |
| Name |
4-(mercapto(methylthio)methylene)-1-(2-oxo-2H-chromene-3-carbonyl)-3-phenyl-1H-pyrazol-5(4H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H14N2O4S2 |
| InChI |
InChI=1S/C21H14N2O4S2/c1-29-21(28)16-17(12-7-3-2-4-8-12)22-23(19(16)25)18(24)14-11-13-9-5-6-10-15(13)27-20(14)26/h2-11,28H,1H3/b21-16+ |
| InChIKey |
OLVUOCIQTYWTFE-LTGZKZEYSA-N |
| Instrument Name |
Shimadzu GCMS-QP1000 EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3487 |
| Molecular Weight |
422.473 g/mol |
| SMILES |
S\C(=C\1C(=NN(C1=O)C(C=1C(=O)Oc2c(cccc2)C1)=O)c1ccccc1)SC |
| SPLASH |
splash10-0ufr-7956000000-e3494d7a081d964f76da |
| Source of Spectrum |
Y-56-1279-6 |
| Wiley ID |
1859504 |
