| SpectraBase Compound ID | K3MZT0U3ax8 |
|---|---|
| InChI | InChI=1S/C6H12O/c1-3-4-6(2)5-7/h4,7H,3,5H2,1-2H3/b6-4- |
| InChIKey | KIKXGIRAIYTCRB-XQRVVYSFSA-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 | 2mROCzUAkwW |
|---|---|
| Name | 2-Penten-1-ol, 2-methyl-, (Z)- |
| 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/c1-3-4-6(2)5-7/h4,7H,3,5H2,1-2H3/b6-4- |
| InChIKey | KIKXGIRAIYTCRB-XQRVVYSFSA-N |
| Molecular Weight | 100.161 g/mol |
| SMILES | C(\C(=C/CC)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955073 |