| SpectraBase Compound ID | HiFQa3eqORn |
|---|---|
| InChI | InChI=1S/C22H38O2/c1-7-24-22(15-23)16(2)9-10-18-20(5)13-8-12-19(3,4)17(20)11-14-21(18,22)6/h9,17-18,23H,7-8,10-15H2,1-6H3/t17?,18?,20-,21+,22+/m0/s1 |
| InChIKey | WCKQNYPONWZUMQ-GBJCSSAMSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C22H38O2 |
| Exact Mass | 334.28718 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3btAgOS6SCS |
|---|---|
| Name | 14-Ethoxy-isoagath-12-en-15-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.287180462 u |
| Formula | C22H38O2 |
| InChI | InChI=1S/C22H38O2/c1-7-24-22(15-23)16(2)9-10-18-20(5)13-8-12-19(3,4)17(20)11-14-21(18,22)6/h9,17-18,23H,7-8,10-15H2,1-6H3/t17?,18?,20-,21+,22+/m0/s1 |
| InChIKey | WCKQNYPONWZUMQ-GBJCSSAMSA-N |
| Molecular Weight | 334.544 g/mol |
| SMILES | [C@]12(C([C@]3(CCCC(C3CC2)(C)C)C)CC=C([C@]1(OCC)CO)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951386 |