| SpectraBase Compound ID | JsTUyLiZNkJ |
|---|---|
| InChI | InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-8,11-17H2,1-2H3 |
| InChIKey | MNOVSTQMZKEWCU-UHFFFAOYSA-N |
| Mol Weight | 280.5 g/mol |
| Molecular Formula | C18H32O2 |
| Exact Mass | 280.24023 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | D06BkVOo6YP |
|---|---|
| Name | 9-Heptadecynoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.240230268 u |
| Formula | C18H32O2 |
| InChI | InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-8,11-17H2,1-2H3 |
| InChIKey | MNOVSTQMZKEWCU-UHFFFAOYSA-N |
| SMILES | COC(=O)CCCCCCCC#CCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.980628 |