| SpectraBase Spectrum ID |
A28uAO11szW |
| Name |
(Gamma-chloro-alpha-hydroxy-p-nitrocinnamyl)phosphonic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.048201963 u |
| Formula |
C13H17ClNO6P |
| InChI |
InChI=1S/C13H17ClNO6P/c1-3-20-22(19,21-4-2)13(16)9-12(14)10-5-7-11(8-6-10)15(17)18/h5-9,13,16H,3-4H2,1-2H3 |
| InChIKey |
HIUWNKFGCPXGKG-UHFFFAOYSA-N |
| Molecular Weight |
349.707 g/mol |
| SMILES |
OC(C=C(C1=CC=C(C=C1)N(=O)=O)Cl)P(OCC)(OCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.887857 |
