| SpectraBase Compound ID | 7agNqp1eTi |
|---|---|
| InChI | InChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21-3/h7,9,18H,4-6,8,10-17H2,1-3H3/b9-7- |
| InChIKey | CJWTTWCLGCTYCJ-CLFYSBASSA-N |
| Mol Weight | 296.5 g/mol |
| Molecular Formula | C19H36O2 |
| Exact Mass | 296.27153 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IEkqUmiDois |
|---|---|
| Name | Methyl 16-methyl-6(Z)-heptadecenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.271530397 u |
| Formula | C19H36O2 |
| InChI | InChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21-3/h7,9,18H,4-6,8,10-17H2,1-3H3/b9-7- |
| InChIKey | CJWTTWCLGCTYCJ-CLFYSBASSA-N |
| SMILES | C(=O)(OC)CCCC\C=C/CCCCCCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965604 |