| SpectraBase Compound ID | DqngF835Eud |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-9(2,7-10)6-4-5-8(11)12-3/h4-5,7H,6H2,1-3H3/b5-4+ |
| InChIKey | MKRHNTQSYMFQKY-SNAWJCMRSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 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 | 9KMj92EzZNr |
|---|---|
| Name | (E)-5,5-Dimethyl-6-oxo-2-hexenoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-9(2,7-10)6-4-5-8(11)12-3/h4-5,7H,6H2,1-3H3/b5-4+ |
| InChIKey | MKRHNTQSYMFQKY-SNAWJCMRSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C(\C=C\CC(C=O)(C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919139 |