| SpectraBase Compound ID | 5oJHgilBq0z |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-8(2,10)6-7-9(3,4)11-5/h6-7,10H,1-5H3/b7-6+ |
| InChIKey | UWCIWHCLZBPPAU-VOTSOKGWSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hn53oeyWHAT |
|---|---|
| Name | 3-Hexen-2-ol, 5-methoxy-2,5-dimethyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-8(2,10)6-7-9(3,4)11-5/h6-7,10H,1-5H3/b7-6+ |
| InChIKey | UWCIWHCLZBPPAU-VOTSOKGWSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | C(\C=C\C(O)(C)C)(OC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978937 |