| SpectraBase Compound ID | 5vBSSaOtLZ5 |
|---|---|
| InChI | InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m0/s1 |
| InChIKey | FYPCNVCBWHQKJO-VMEIHUARSA-N |
| Mol Weight | 294.44 g/mol |
| Molecular Formula | C18H30O3 |
| Exact Mass | 294.219495 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7ArvZMX3lu3 |
|---|---|
| Name | (E,13S)-13-Hydroxyoctadec-11-en-9-ynoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.219494823 u |
| Formula | C18H30O3 |
| InChI | InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m0/s1 |
| InChIKey | FYPCNVCBWHQKJO-VMEIHUARSA-N |
| SMILES | C(#CCCCCCCCC(=O)O)\C=C\[C@@](O)(CCCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927425 |