| SpectraBase Compound ID | 79FPI8QzVoI |
|---|---|
| InChI | InChI=1S/C19H38O2/c1-4-15-18(2)16-13-11-9-7-5-6-8-10-12-14-17-19(20)21-3/h18H,4-17H2,1-3H3 |
| InChIKey | IAHAMDDIZJPOGW-UHFFFAOYSA-N |
| Mol Weight | 298.5 g/mol |
| Molecular Formula | C19H38O2 |
| Exact Mass | 298.28718 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3YWvjXVa18J |
|---|---|
| Name | Heptadecanoic acid, 14-methyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.287180462 u |
| Formula | C19H38O2 |
| InChI | InChI=1S/C19H38O2/c1-4-15-18(2)16-13-11-9-7-5-6-8-10-12-14-17-19(20)21-3/h18H,4-17H2,1-3H3 |
| InChIKey | IAHAMDDIZJPOGW-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCCCCCC(OC)=O)C(CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905948 |