| SpectraBase Spectrum ID |
1LwPqNqRDGn |
| Name |
THIOPHANAT-METHYL |
| CAS Registry Number |
23564-05-8 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
342.045647291 u |
| Formula |
C12H14N4O4S2 |
| InChI |
InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22) |
| InChIKey |
QGHREAKMXXNCOA-UHFFFAOYSA-N |
| Molecular Weight |
342.388 g/mol |
| Nominal Mass |
342 u |
| Number of Peaks |
117 |
| SMILES |
N(C(Nc1ccccc1NC(NC(=O)OC)=S)=S)C(=O)OC |
| SPLASH |
splash10-0006-2913000000-68df3870a3f9c86195e4 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
methyl [2-({[(methoxycarbonyl)amino]carbothioyl}amino)anilino]carbothioylcarbamate |
| Technique |
DI/MS |
| Wiley ID |
WID_MSPA_4057 |
