| SpectraBase Compound ID | JkPzpZxBatJ |
|---|---|
| InChI | InChI=1S/C21H34O/c1-3-5-7-12-16-20(15-9-6-4-2)21(22)18-17-19-13-10-8-11-14-19/h8,10-11,13-14,16,21-22H,3-7,9,12,15,17-18H2,1-2H3/b20-16+ |
| InChIKey | SOVSOHHMNGMCRB-CAPFRKAQSA-N |
| Mol Weight | 302.5 g/mol |
| Molecular Formula | C21H34O |
| Exact Mass | 302.260966 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1v96gKeHo1z |
|---|---|
| Name | (E)-4-Pentyl-1-phenyl-4-decen-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.260965714 u |
| Formula | C21H34O |
| InChI | InChI=1S/C21H34O/c1-3-5-7-12-16-20(15-9-6-4-2)21(22)18-17-19-13-10-8-11-14-19/h8,10-11,13-14,16,21-22H,3-7,9,12,15,17-18H2,1-2H3/b20-16+ |
| InChIKey | SOVSOHHMNGMCRB-CAPFRKAQSA-N |
| SMILES | C(\C=C\(C(CCC1=CC=CC=C1)O)CCCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902758 |