SpectraBase Compound ID | 5WHaBCkpBBu |
---|---|
InChI | InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/b10-9- |
InChIKey | BBOWBNGUEWHNQZ-KTKRTIGZSA-N |
Mol Weight | 296.5 g/mol |
Molecular Formula | C19H36O2 |
Exact Mass | 296.27153 g/mol |
SpectraBase Spectrum ID | ERQCimlvLoJ |
---|---|
Name | cis-10-Nonadecenoic acid |
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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/b10-9- |
InChIKey | BBOWBNGUEWHNQZ-KTKRTIGZSA-N |
SMILES | C(\C=C/CCCCCCCC)CCCCCCCC(O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961792 |