| SpectraBase Compound ID | ETCeiwmZ91W |
|---|---|
| InChI | InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7) |
| InChIKey | HHDDCCUIIUWNGJ-UHFFFAOYSA-N |
| Mol Weight | 104.06 g/mol |
| Molecular Formula | C3H4O4 |
| Exact Mass | 104.010959 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6JBU15kF8Kp |
|---|---|
| Name | beta-Hydroxypyruvate, 2tms, 1meox |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 104.010958605 u |
| Formula | C3H4O4 |
| InChI | InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7) |
| InChIKey | HHDDCCUIIUWNGJ-UHFFFAOYSA-N |
| Molecular Weight | 104.061 g/mol |
| Nominal Mass | 104 u |
| SMILES | C(C(C(O)=O)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86534 |