| SpectraBase Compound ID | GC7RapqWKKR |
|---|---|
| InChI | InChI=1S/C6H10O5/c1-6(3-7,4(8)9)5(10)11-2/h7H,3H2,1-2H3,(H,8,9) |
| InChIKey | XORCICPULWHRSL-UHFFFAOYSA-N |
| Mol Weight | 162.14 g/mol |
| Molecular Formula | C6H10O5 |
| Exact Mass | 162.052823 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KNx8n58YVPa |
|---|---|
| Name | 2-(Hydroxymethyl)-3-methoxy-2-methyl-3-oxopropanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.052823417 u |
| Formula | C6H10O5 |
| InChI | InChI=1S/C6H10O5/c1-6(3-7,4(8)9)5(10)11-2/h7H,3H2,1-2H3,(H,8,9) |
| InChIKey | XORCICPULWHRSL-UHFFFAOYSA-N |
| SMILES | C(C(=O)O)(C(=O)OC)(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968239 |