| SpectraBase Compound ID | FX73tzgFqWN |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-2-5-3-4-8-6(5)7/h5-7H,2-4H2,1H3 |
| InChIKey | KZVVMOBSDDZBKU-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5dN2XCWxunK |
|---|---|
| Name | 3-Ethyl-2-oxolanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.083729624 u |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-2-5-3-4-8-6(5)7/h5-7H,2-4H2,1H3 |
| InChIKey | KZVVMOBSDDZBKU-UHFFFAOYSA-N |
| Molecular Weight | 116.160 g/mol |
| SMILES | C1(OCCC1CC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898463 |