| SpectraBase Compound ID | Ihns28tK3kY |
|---|---|
| InChI | InChI=1S/C7H10O4/c1-2-3-5(7(10)11)4-6(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)/b5-4+ |
| InChIKey | CCKSYUMJLIMSQK-SNAWJCMRSA-N |
| Mol Weight | 158.15 g/mol |
| Molecular Formula | C7H10O4 |
| Exact Mass | 158.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HeDaNxpk5Vu |
|---|---|
| Name | (E)-2-Propyl-2-butenedioic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.057908798 u |
| Formula | C7H10O4 |
| InChI | InChI=1S/C7H10O4/c1-2-3-5(7(10)11)4-6(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)/b5-4+ |
| InChIKey | CCKSYUMJLIMSQK-SNAWJCMRSA-N |
| SMILES | C(\C=C\(C(=O)O)CCC)(=O)O |