| SpectraBase Compound ID | 4zhFXhQ4Aq4 |
|---|---|
| InChI | InChI=1S/C8H14O/c1-3-4-5-6-8(2)7-9/h5,9H,3-4,7H2,1-2H3 |
| InChIKey | BTJOJUXPOWBLCQ-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | OWVRND9RP0 |
|---|---|
| Name | 2-Methylhepta-2,3-dien-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-3-4-5-6-8(2)7-9/h5,9H,3-4,7H2,1-2H3 |
| InChIKey | BTJOJUXPOWBLCQ-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(C(=C=CCCC)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932167 |