![3-(6-Methylbicyclo[4.1.0]hept-3-yl)butan-1-ol](/api/spectrum/DAPXfFtPsLf/structure.png?h=300&w=458 "3-(6-Methylbicyclo[4.1.0]hept-3-yl)butan-1-ol")
| SpectraBase Compound ID | 4QpFwuMS1mc |
|---|---|
| InChI | InChI=1S/C12H22O/c1-9(4-6-13)10-3-5-12(2)8-11(12)7-10/h9-11,13H,3-8H2,1-2H3 |
| InChIKey | JCIMMTKLYSOALU-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DAPXfFtPsLf |
|---|---|
| Name | 3-(6-Methylbicyclo[4.1.0]hept-3-yl)butan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-9(4-6-13)10-3-5-12(2)8-11(12)7-10/h9-11,13H,3-8H2,1-2H3 |
| InChIKey | JCIMMTKLYSOALU-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C12(C(CC(CC2)C(CCO)C)C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.819895 |