SpectraBase Spectrum ID |
4tGcRHC1PhY |
Name |
Carboxy C11 diethylphosphonate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.190911091 u |
Formula |
C15H31O5P |
InChI |
InChI=1S/C15H31O5P/c1-3-19-21(18,20-4-2)14-12-10-8-6-5-7-9-11-13-15(16)17/h3-14H2,1-2H3,(H,16,17) |
InChIKey |
FUYLQGOTIWWKQZ-UHFFFAOYSA-N |
Molecular Weight |
322.382 g/mol |
SMILES |
OC(CCCCCCCCCCP(=O)(OCC)OCC)=O |
Spectrum/Structure Validation Score (Raman) |
0.833331 |