| SpectraBase Compound ID | I0kjdHbUo1J |
|---|---|
| InChI | InChI=1S/C16H24O/c1-11(2)13-8-9-16(4,17-5)15-7-6-12(3)10-14(13)15/h6-7,10-11,13H,8-9H2,1-5H3 |
| InChIKey | OWWZCXGTFKJCMP-UHFFFAOYSA-N |
| Mol Weight | 232.37 g/mol |
| Molecular Formula | C16H24O |
| Exact Mass | 232.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CS9JDLy16rv |
|---|---|
| Name | 9-Methoxycalamenene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.182715392 u |
| Formula | C16H24O |
| InChI | InChI=1S/C16H24O/c1-11(2)13-8-9-16(4,17-5)15-7-6-12(3)10-14(13)15/h6-7,10-11,13H,8-9H2,1-5H3 |
| InChIKey | OWWZCXGTFKJCMP-UHFFFAOYSA-N |
| Molecular Weight | 232.367 g/mol |
| SMILES | C1CC(C=2C(C1C(C)C)=CC(=CC2)C)(C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941782 |