| SpectraBase Compound ID | Kt9yhUdO9JD |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-4-5-6-7-8(2)9(10)11-3/h7H,4-6H2,1-3H3/b8-7+ |
| InChIKey | AEQYRDAXHCVFSK-BQYQJAHWSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 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 | DFOyyooOaPL |
|---|---|
| Name | Methyl- (E)-2-methyl-2-heptenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-4-5-6-7-8(2)9(10)11-3/h7H,4-6H2,1-3H3/b8-7+ |
| InChIKey | AEQYRDAXHCVFSK-BQYQJAHWSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(\C(=C\CCCC)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989416 |