| SpectraBase Compound ID | 9mD49O8Wq5R |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-5-3-6(2)9-7(8)4-5/h5-8H,3-4H2,1-2H3/t5-,6+,7?/m1/s1 |
| InChIKey | VNIYGPQDZZAGMJ-JEAXJGTLSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 112EB09Gzg7 |
|---|---|
| Name | (4R,6S)-4,6-Dimethyl-2-oxanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.099379689 u |
| Formula | C7H14O2 |
| InChI | InChI=1S/C7H14O2/c1-5-3-6(2)9-7(8)4-5/h5-8H,3-4H2,1-2H3/t5-,6+,7?/m1/s1 |
| InChIKey | VNIYGPQDZZAGMJ-JEAXJGTLSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | C1(O[C@](C[C@](C1)(C)[H])(C)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979708 |