| SpectraBase Compound ID | DCvP47EU6Xb |
|---|---|
| InChI | InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-12-15-18(2)16-13-11-14-17-19(20)21/h16H,3-15,17H2,1-2H3,(H,20,21)/b18-16+ |
| InChIKey | HTBHLRKLTJJLGZ-FBMGVBCBSA-N |
| Mol Weight | 296.5 g/mol |
| Molecular Formula | C19H36O2 |
| Exact Mass | 296.27153 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | xxyroZLT7e |
|---|---|
| Name | 7-Methyl-6(E)-octadecenoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.271530397 u |
| Formula | C19H36O2 |
| InChI | InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-12-15-18(2)16-13-11-14-17-19(20)21/h16H,3-15,17H2,1-2H3,(H,20,21)/b18-16+ |
| InChIKey | HTBHLRKLTJJLGZ-FBMGVBCBSA-N |
| SMILES | C(=O)(O)CCCC\C=C\(CCCCCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974942 |