| SpectraBase Compound ID | 2XU5MTxH3m9 |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-8(2)5-4-6-9(11)7-10(12)13-3/h5H,4,6-7H2,1-3H3 |
| InChIKey | KBSCGAWMTGHTPV-UHFFFAOYSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 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 | Ky9Nousn0QV |
|---|---|
| Name | 6-Octenoic acid, 7-methyl-3-oxo-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-8(2)5-4-6-9(11)7-10(12)13-3/h5H,4,6-7H2,1-3H3 |
| InChIKey | KBSCGAWMTGHTPV-UHFFFAOYSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C(C(=O)OC)C(=O)CCC=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856554 |