| SpectraBase Compound ID | IQpInA9dhgo |
|---|---|
| InChI | InChI=1S/C6H13O4P/c1-5-6(2)10-11(7,8-3)9-4/h5H,1-4H3/b6-5+ |
| InChIKey | GQKDEJFPJXORPM-AATRIKPKSA-N |
| Mol Weight | 180.14 g/mol |
| Molecular Formula | C6H13O4P |
| Exact Mass | 180.055146 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Gi78QBCHCx |
|---|---|
| Name | Phosphoric acid, dimethyl 1-methylpropenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.055145893 u |
| Formula | C6H13O4P |
| InChI | InChI=1S/C6H13O4P/c1-5-6(2)10-11(7,8-3)9-4/h5H,1-4H3/b6-5+ |
| InChIKey | GQKDEJFPJXORPM-AATRIKPKSA-N |
| Molecular Weight | 180.140 g/mol |
| SMILES | COP(O\C(=C\C)C)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898199 |