| SpectraBase Compound ID | G6DdlnvSY0u |
|---|---|
| InChI | InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5,7,9,12-14H,6,8H2,1-4H3/t12-,13+,14-/m0/s1 |
| InChIKey | LMILVXQXGKTFSZ-MJBXVCDLSA-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 | GlqQ4S30Xs |
|---|---|
| Name | (-)-alpha-muurolen-3-one |
| 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)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5,7,9,12-14H,6,8H2,1-4H3/t12-,13+,14-/m0/s1 |
| InChIKey | LMILVXQXGKTFSZ-MJBXVCDLSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | [C@]1([C@]2([C@@](C(=CC1)C)(CC(C(=C2)C)=O)[H])[H])(C(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905269 |