| SpectraBase Compound ID | CUDjXoBUKZZ |
|---|---|
| InChI | InChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20)21-17-18(2)3/h7-8,18H,4-6,9-17H2,1-3H3/b8-7- |
| InChIKey | XZHABNVXUZMSEE-FPLPWBNLSA-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 | 2YgRmzEFW4n |
|---|---|
| Name | cis-10-Pentadecenoic acid, isobutyl ester |
| 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20)21-17-18(2)3/h7-8,18H,4-6,9-17H2,1-3H3/b8-7- |
| InChIKey | XZHABNVXUZMSEE-FPLPWBNLSA-N |
| SMILES | C(CCC(OCC(C)C)=O)CCCCC\C=C/CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98506 |