| SpectraBase Compound ID | 95QAiXP1GsS |
|---|---|
| InChI | InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h4,7-9H,1,5-6H2,2-3H3 |
| InChIKey | QMMJAABEFZXPBD-UHFFFAOYSA-N |
| Mol Weight | 128.21 g/mol |
| Molecular Formula | C8H16O |
| Exact Mass | 128.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BlvpagdMOYC |
|---|---|
| Name | 6-Hepten-3-ol, 4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.120115134 u |
| Formula | C8H16O |
| InChI | InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h4,7-9H,1,5-6H2,2-3H3 |
| InChIKey | QMMJAABEFZXPBD-UHFFFAOYSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | C(C(CC=C)C)(CC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94204 |