| SpectraBase Spectrum ID |
1nFJJCnAwo8 |
| Name |
2-Amino-5-cyano-6-(4'-chlorophenyl)-4-thioxo-4H-pyran-3-ylphosphonic acid ethyl ester |
| Comments |
Note: The molecular formula of the structure shown is C14H12ClN2O4PS - which differs from the formula reported for the mass spectrum (C20H16ClN2O3PS) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H16ClN2O3PS |
| InChI |
InChI=1S/C14H12ClN2O4PS/c1-2-20-22(18,19)12-13(23)10(7-16)11(21-14(12)17)8-3-5-9(15)6-4-8/h3-6H,2,17H2,1H3,(H,18,19) |
| InChIKey |
RCDILMLYJNPNPV-UHFFFAOYSA-N |
| Molecular Weight |
370.747 g/mol |
| SMILES |
OP(C1=C(OC(=C(C1=S)C#N)c1ccc(cc1)Cl)N)(OCC)=O |
| SPLASH |
splash10-000i-2900200000-703bd36bd7b9eddba907 |
| Source of Spectrum |
H1-47-247-5 |
| Wiley ID |
816136 |
