| SpectraBase Compound ID | ClgRIfVPPu1 |
|---|---|
| InChI | InChI=1S/C5H12O2/c1-4(6)5(2)7-3/h4-6H,1-3H3 |
| InChIKey | HJHFJCUIVDTESF-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 | 7S1NIjBk3zh |
|---|---|
| Name | 2-Butanol, 3-methoxy- |
| 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/c1-4(6)5(2)7-3/h4-6H,1-3H3 |
| InChIKey | HJHFJCUIVDTESF-UHFFFAOYSA-N |
| Molecular Weight | 104.149 g/mol |
| SMILES | C(C(OC)C)(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906054 |