| SpectraBase Compound ID | KQaKTg56iZY |
|---|---|
| InChI | InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h6-7,9-10H,3-5,8,11-17H2,1-2H3/b7-6-,10-9- |
| InChIKey | YQPPJEIGDVXTHE-HZJYTTRNSA-N |
| Mol Weight | 280.5 g/mol |
| Molecular Formula | C18H32O2 |
| Exact Mass | 280.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | wmFXYy0xAK |
|---|---|
| Name | Methyl 9,12-heptadecadienoate |
| 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/h6-7,9-10H,3-5,8,11-17H2,1-2H3/b7-6-,10-9- |
| InChIKey | YQPPJEIGDVXTHE-HZJYTTRNSA-N |
| SMILES | C(CCCC(=O)OC)CCC\C=C/C\C=C/CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971089 |