| SpectraBase Compound ID | DZeWyIWyt8Z |
|---|---|
| InChI | InChI=1S/C6H12O/c1-3-6(2)4-5-7/h3,6-7H,1,4-5H2,2H3/t6-/m1/s1 |
| InChIKey | VTCQTYOGWYLVES-ZCFIWIBFSA-N |
| Mol Weight | 100.16 g/mol |
| Molecular Formula | C6H12O |
| Exact Mass | 100.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Z2u7TiLdxv |
|---|---|
| Name | (3S)-3-Methyl-4-penten-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.088815005 u |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-3-6(2)4-5-7/h3,6-7H,1,4-5H2,2H3/t6-/m1/s1 |
| InChIKey | VTCQTYOGWYLVES-ZCFIWIBFSA-N |
| Molecular Weight | 100.161 g/mol |
| SMILES | C(=C)[C@](CCO)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925718 |