| SpectraBase Compound ID | EYLSoP7pdjo |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-6(2)4-7(11-3)5-8(9)10/h4-5H,1-3H3,(H,9,10)/b7-5- |
| InChIKey | VCNPRDNWPTVXGG-ALCCZGGFSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6J2uNbKLXTv |
|---|---|
| Name | (Z)-3-Methoxy-5-methylhexa-2,4-dienoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-6(2)4-7(11-3)5-8(9)10/h4-5H,1-3H3,(H,9,10)/b7-5- |
| InChIKey | VCNPRDNWPTVXGG-ALCCZGGFSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C(\C(OC)=C\C(O)=O)=C(C)C |