SpectraBase Compound ID | EL20QPaLzsI |
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InChI | InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-4-2/h10-11H,3-9,12-18H2,1-2H3/b11-10- |
InChIKey | TVNFCCICUKOQBE-KHPPLWFESA-N |
Mol Weight | 296.5 g/mol |
Molecular Formula | C19H36O2 |
Exact Mass | 296.27153 g/mol |
SpectraBase Spectrum ID | 36yO2nHV2Td |
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Name | Ethyl 9-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/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-4-2/h10-11H,3-9,12-18H2,1-2H3/b11-10- |
InChIKey | TVNFCCICUKOQBE-KHPPLWFESA-N |
SMILES | C(C(OCC)=O)CCCCCC\C=C/CCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83159 |