| SpectraBase Compound ID | 6boFMF9s1hI |
|---|---|
| InChI | InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3 |
| InChIKey | XLMFDCKSFJWJTP-UHFFFAOYSA-N |
| Mol Weight | 104.15 g/mol |
| Molecular Formula | C5H12O2 |
| Exact Mass | 104.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Shi3AGUKCm |
|---|---|
| Name | 2,3-Pentanediol |
| 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/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3 |
| InChIKey | XLMFDCKSFJWJTP-UHFFFAOYSA-N |
| Molecular Weight | 104.149 g/mol |
| SMILES | CC(C(CC)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971385 |