| SpectraBase Compound ID | 3heGza5KU8K |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-5-3-2-4-6(7)8-5/h5-7H,2-4H2,1H3/t5-,6?/m0/s1 |
| InChIKey | XCNWVNNDBZRDEA-ZBHICJROSA-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 | 1Ag7yBTAk6Q |
|---|---|
| Name | (6S)-6-Methyl-2-oxanol |
| 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/c1-5-3-2-4-6(7)8-5/h5-7H,2-4H2,1H3/t5-,6?/m0/s1 |
| InChIKey | XCNWVNNDBZRDEA-ZBHICJROSA-N |
| Molecular Weight | 116.160 g/mol |
| SMILES | C1(O[C@](CCC1)(C)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938444 |