| SpectraBase Compound ID | HER6TLDLw2c |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h4-5H,3,6-12H2,1-2H3/b5-4+ |
| InChIKey | DUWQEMMRMJGHSA-SNAWJCMRSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | B6LWuYLP0uy |
|---|---|
| Name | 9-Dodecenoic acid, methyl ester, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.177630011 u |
| Formula | C13H24O2 |
| InChI | InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h4-5H,3,6-12H2,1-2H3/b5-4+ |
| InChIKey | DUWQEMMRMJGHSA-SNAWJCMRSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C(CCC(OC)=O)CCCC\C=C\CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871171 |