| SpectraBase Compound ID | 3AUlGtbByOP |
|---|---|
| InChI | InChI=1S/C8H17O5P/c1-8(2,3)13-7(9)6-14(10,11-4)12-5/h6H2,1-5H3 |
| InChIKey | SAZYDWOWLRDDRQ-UHFFFAOYSA-N |
| Mol Weight | 224.19 g/mol |
| Molecular Formula | C8H17O5P |
| Exact Mass | 224.081361 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EF78mtWUqUw |
|---|---|
| Name | Phosphonoacetic acid, 1-tert-butyl dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.081360640 u |
| Formula | C8H17O5P |
| InChI | InChI=1S/C8H17O5P/c1-8(2,3)13-7(9)6-14(10,11-4)12-5/h6H2,1-5H3 |
| InChIKey | SAZYDWOWLRDDRQ-UHFFFAOYSA-N |
| Molecular Weight | 224.193 g/mol |
| SMILES | COP(=O)(CC(OC(C)(C)C)=O)OC |
| Spectrum/Structure Validation Score (Raman) | 0.952112 |