| SpectraBase Spectrum ID |
IB4QEsa93w8 |
| Name |
CHLOROTHIONE 1 |
| CAS Registry Number |
500-28-7 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
296.962758261 u |
| Formula |
C8H9ClNO5PS |
| InChI |
InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3 |
| InChIKey |
NZNRRXXETLSZRO-UHFFFAOYSA-N |
| Molecular Weight |
297.649 g/mol |
| Nominal Mass |
297 u |
| Number of Peaks |
102 |
| SMILES |
COP(OC)(Oc1ccc(c(c1)Cl)[N+]([O-])=O)=S |
| SPLASH |
splash10-056s-4940000000-292319c76a828269153c |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
O-(3-chloro-4-nitrophenyl) O,O-dimethyl thiophosphate |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3655 |
