| SpectraBase Compound ID | GkcH0OY7OKy |
|---|---|
| InChI | InChI=1S/C16H12O3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-11H,(H,18,19)/b11-10+ |
| InChIKey | XHISZGCLMMMERP-ZHACJKMWSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C16H12O3 |
| Exact Mass | 252.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AaW1G8RSKu5 |
|---|---|
| Name | Benzoic acid, 2-(1-oxo-3-phenyl-2-propenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.078644243 u |
| Formula | C16H12O3 |
| InChI | InChI=1S/C16H12O3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-11H,(H,18,19)/b11-10+ |
| InChIKey | XHISZGCLMMMERP-ZHACJKMWSA-N |
| Molecular Weight | 252.269 g/mol |
| SMILES | OC(C1=C(C=CC=C1)C(\C=C\C1=CC=CC=C1)=O)=O |