| SpectraBase Compound ID | BPzrK1ehAtM |
|---|---|
| InChI | InChI=1S/C11H22O/c1-5-6-7-11(10(4)12)8-9(2)3/h8,10-12H,5-7H2,1-4H3 |
| InChIKey | AUWOKAJHNRURMR-UHFFFAOYSA-N |
| Mol Weight | 170.3 g/mol |
| Molecular Formula | C11H22O |
| Exact Mass | 170.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HpoSLCWTdxp |
|---|---|
| Name | 3-Butyl-5-methyl-4-hexen-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.167065327 u |
| Formula | C11H22O |
| InChI | InChI=1S/C11H22O/c1-5-6-7-11(10(4)12)8-9(2)3/h8,10-12H,5-7H2,1-4H3 |
| InChIKey | AUWOKAJHNRURMR-UHFFFAOYSA-N |
| Molecular Weight | 170.296 g/mol |
| SMILES | C(C(C(O)C)CCCC)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953982 |