| SpectraBase Compound ID | B5jXpvLt9Vz |
|---|---|
| InChI | InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(20)16-13-14-17-19(21)22/h13,16,18,20H,2-12,14-15,17H2,1H3,(H,21,22)/b16-13- |
| InChIKey | KJHXFKFCRQJHEC-SSZFMOIBSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C19H36O3 |
| Exact Mass | 312.266445 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1dYQ4zqVG53 |
|---|---|
| Name | 6-Hydroxynonadec-(4Z)-enoic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.266445016 u |
| Formula | C19H36O3 |
| InChI | InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(20)16-13-14-17-19(21)22/h13,16,18,20H,2-12,14-15,17H2,1H3,(H,21,22)/b16-13- |
| InChIKey | KJHXFKFCRQJHEC-SSZFMOIBSA-N |
| SMILES | C(=O)(O)CC\C=C/C(O)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852786 |