| SpectraBase Compound ID | LxSooDWlmRq |
|---|---|
| InChI | InChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3 |
| InChIKey | FDMKIGKOMRSCAW-UHFFFAOYSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 500PLj0rrmA |
|---|---|
| Name | 8-Hydroxycalamenene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.167065327 u |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3 |
| InChIKey | FDMKIGKOMRSCAW-UHFFFAOYSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | C=1(O)C=C(C=C2C(CCC(C)C12)C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867612 |