| SpectraBase Compound ID | JfXXB3NOv4a |
|---|---|
| InChI | InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3 |
| InChIKey | LDLDJEAVRNAEBW-UHFFFAOYSA-N |
| Mol Weight | 118.13 g/mol |
| Molecular Formula | C5H10O3 |
| Exact Mass | 118.062994 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1M5J9yFbids |
|---|---|
| Name | (S)-(+)-3-hydroxybutyric acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.062994179 u |
| Formula | C5H10O3 |
| InChI | InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3 |
| InChIKey | LDLDJEAVRNAEBW-UHFFFAOYSA-N |
| Molecular Weight | 118.132 g/mol |
| SMILES | OC(C)CC(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.918106 |