| SpectraBase Compound ID | J5Cfy65aVCj |
|---|---|
| InChI | InChI=1S/C7H16O2/c1-2-3-4-7(5-8)6-9/h7-9H,2-6H2,1H3 |
| InChIKey | SIMYRXPCIUXDGR-UHFFFAOYSA-N |
| Mol Weight | 132.2 g/mol |
| Molecular Formula | C7H16O2 |
| Exact Mass | 132.11503 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8dyWzaKZrOq |
|---|---|
| Name | 2-N-Butylpropane-1,3-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.115029753 u |
| Formula | C7H16O2 |
| InChI | InChI=1S/C7H16O2/c1-2-3-4-7(5-8)6-9/h7-9H,2-6H2,1H3 |
| InChIKey | SIMYRXPCIUXDGR-UHFFFAOYSA-N |
| Molecular Weight | 132.203 g/mol |
| SMILES | OCC(CO)CCCC |
| Spectrum/Structure Validation Score (Raman) | 0.993114 |