| SpectraBase Compound ID | I1zgyTRZVfl |
|---|---|
| InChI | InChI=1S/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3 |
| InChIKey | XPFCZYUVICHKDS-UHFFFAOYSA-N |
| Mol Weight | 104.15 g/mol |
| Molecular Formula | C5H12O2 |
| Exact Mass | 104.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1MYFxlnLzd7 |
|---|---|
| Name | 3-Methyl-1,3-butanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 104.083729624 u |
| Formula | C5H12O2 |
| InChI | InChI=1S/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3 |
| InChIKey | XPFCZYUVICHKDS-UHFFFAOYSA-N |
| Molecular Weight | 104.149 g/mol |
| SMILES | C(O)CC(O)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.976284 |