| SpectraBase Compound ID | HHyhCnG2xau |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-4-5-6-7-8-9(2)10(11)12-3/h8H,4-7H2,1-3H3/b9-8- |
| InChIKey | BWFUBUKDHXDVRB-HJWRWDBZSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 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 | 7jGAWDOMRxw |
|---|---|
| Name | (Z)-2-Methyl-2-octenoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-4-5-6-7-8-9(2)10(11)12-3/h8H,4-7H2,1-3H3/b9-8- |
| InChIKey | BWFUBUKDHXDVRB-HJWRWDBZSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(\C(=C/CCCCC)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932615 |