| SpectraBase Compound ID | 3MC9nsQyZIV |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-5-8(4)9(10)11-6-7(2)3/h5H,2,6H2,1,3-4H3/b8-5+ |
| InChIKey | PNRCWIZNCBKLMH-VMPITWQZSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4eubQZZHSSN |
|---|---|
| Name | 2-Butenoic acid, 2-methyl-, 2-methyl-2-propenyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-5-8(4)9(10)11-6-7(2)3/h5H,2,6H2,1,3-4H3/b8-5+ |
| InChIKey | PNRCWIZNCBKLMH-VMPITWQZSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C(\C(=C\C)C)(=O)OCC(=C)C |