| SpectraBase Compound ID | JuIJd2MMzhH |
|---|---|
| InChI | InChI=1S/C5H12O3/c1-5(2,8)4(7)3-6/h4,6-8H,3H2,1-2H3/t4-/m1/s1 |
| InChIKey | QFZITDCVRJQLMZ-SCSAIBSYSA-N |
| Mol Weight | 120.15 g/mol |
| Molecular Formula | C5H12O3 |
| Exact Mass | 120.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L1IshAzJ8L |
|---|---|
| Name | (R)-3-Methyl-1,2,3-butanetriol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.078644243 u |
| Formula | C5H12O3 |
| InChI | InChI=1S/C5H12O3/c1-5(2,8)4(7)3-6/h4,6-8H,3H2,1-2H3/t4-/m1/s1 |
| InChIKey | QFZITDCVRJQLMZ-SCSAIBSYSA-N |
| Molecular Weight | 120.148 g/mol |
| SMILES | C([C@](C(C)(O)C)(O)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947527 |