| SpectraBase Spectrum ID |
9XYbc3CwBts |
| Name |
3-(4-Chlorophenyl)-5-methyl-2-(2,3,3-trichloro-1-nitroallylidene)thiazolidin-4-one |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H8Cl4N2O3S |
| InChI |
InChI=1S/C13H8Cl4N2O3S/c1-6-12(20)18(8-4-2-7(14)3-5-8)13(23-6)10(19(21)22)9(15)11(16)17/h2-6H,1H3 |
| InChIKey |
KSKMJCUOJZDNDL-UHFFFAOYSA-N |
| Instrument Name |
Hewlett Packard 'MS 5989B' |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.10.170 |
| Molecular Weight |
414.090 g/mol |
| Reported Formula |
C13H8Cl4N2O3S |
| SMILES |
C(Cl)(=C(Cl)Cl)C(=C1N(C(C(S1)C)=O)c1ccc(cc1)Cl)[N+]([O-])=O |
| SPLASH |
splash10-014i-0293000000-9f76a28ed12cc9a54902 |
| Sample Comments |
isomeric ratio (2:1) |
| Source of Spectrum |
BJO-10-SM11-30 |
| Wiley ID |
1853926 |
