| SpectraBase Compound ID | D69NKnXBWao |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-8-3-5-10(6-4-8)9(2)7-11(12)13/h3-7H,1-2H3,(H,12,13)/b9-7- |
| InChIKey | YAOUORFQUQWGHU-CLFYSBASSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2Cddm3mOTT |
|---|---|
| Name | (Z)-3-p-Tolylbut-2-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-8-3-5-10(6-4-8)9(2)7-11(12)13/h3-7H,1-2H3,(H,12,13)/b9-7- |
| InChIKey | YAOUORFQUQWGHU-CLFYSBASSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C=1(\C(=C/C(=O)O)C)C=CC(=CC1)C |