| SpectraBase Compound ID | 58m59KfYtPF |
|---|---|
| InChI | InChI=1S/C5H10NO3P/c1-8-10(7,9-2)5-3-4-6/h3,5H2,1-2H3 |
| InChIKey | RAVZRUBLUBGQNY-UHFFFAOYSA-N |
| Mol Weight | 163.11 g/mol |
| Molecular Formula | C5H10NO3P |
| Exact Mass | 163.03983 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | A8DBhV7wFSd |
|---|---|
| Name | (2-Cyanoethyl)phosphonic acid, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.039830181 u |
| Formula | C5H10NO3P |
| InChI | InChI=1S/C5H10NO3P/c1-8-10(7,9-2)5-3-4-6/h3,5H2,1-2H3 |
| InChIKey | RAVZRUBLUBGQNY-UHFFFAOYSA-N |
| Molecular Weight | 163.113 g/mol |
| SMILES | C(C#N)CP(=O)(OC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.918329 |