| SpectraBase Compound ID | CC5fZXhgF8h |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-5-11-9(10)6-8(4)7(2)3/h6-7H,5H2,1-4H3/b8-6- |
| InChIKey | UQNNNILWTLCUDU-VURMDHGXSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AhmCcFnInO3 |
|---|---|
| Name | 2-Pentenoic acid, 3,4-dimethyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-5-11-9(10)6-8(4)7(2)3/h6-7H,5H2,1-4H3/b8-6- |
| InChIKey | UQNNNILWTLCUDU-VURMDHGXSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | CC(C)\C(C)=C/C(=O)OCC |