| SpectraBase Spectrum ID |
4QA5OWuXrc |
| Name |
2-Amino-5-cyano-6-phenyl-4-thioxo-4H-pyran-3-ylphosphonic acid ethyl ester |
| Comments |
Note: The molecular formula of the structure shown is C14H13N2O4PS - which differs from the formula reported for the mass spectrum (C20H17N2O3PS) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H17N2O3PS |
| InChI |
InChI=1S/C14H13N2O4PS/c1-2-19-21(17,18)12-13(22)10(8-15)11(20-14(12)16)9-6-4-3-5-7-9/h3-7H,2,16H2,1H3,(H,17,18) |
| InChIKey |
JWMSFLXYMRLJRS-UHFFFAOYSA-N |
| Molecular Weight |
336.302 g/mol |
| SMILES |
OP(C1=C(OC(=C(C1=S)C#N)c1ccccc1)N)(OCC)=O |
| SPLASH |
splash10-0a6r-9803000000-56c758bb85a97a1be288 |
| Source of Spectrum |
H1-47-247-5 |
| Wiley ID |
816137 |
