| SpectraBase Compound ID | LOHhCAFQhrY |
|---|---|
| InChI | InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11,14,16H,5-7,9H2,1-4H3 |
| InChIKey | OKGZNXMPKYHFRT-UHFFFAOYSA-N |
| Mol Weight | 220.36 g/mol |
| Molecular Formula | C15H24O |
| Exact Mass | 220.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3CZyDQOVtYO |
|---|---|
| Name | .alpha.-Isonootkatol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.182715392 u |
| Formula | C15H24O |
| InChI | InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11,14,16H,5-7,9H2,1-4H3 |
| InChIKey | OKGZNXMPKYHFRT-UHFFFAOYSA-N |
| Molecular Weight | 220.356 g/mol |
| SMILES | C=1C(CC(C2(C1CCC(C2)=C(C)C)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964554 |