| SpectraBase Compound ID | 81Ps4RLExrA |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-4-6(2)5-7(8)9-3/h4H,5H2,1-3H3/b6-4- |
| InChIKey | OUARJKDCCMXOEF-XQRVVYSFSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4TO9nwMrz9B |
|---|---|
| Name | (Z)-3-Methyl-3-pentenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-4-6(2)5-7(8)9-3/h4H,5H2,1-3H3/b6-4- |
| InChIKey | OUARJKDCCMXOEF-XQRVVYSFSA-N |
| SMILES | C(=O)(C\C(=C/C)C)OC |