| SpectraBase Compound ID | Gtfd49TXcew |
|---|---|
| InChI | InChI=1S/C16H14O3/c1-11(15(17)12-7-3-2-4-8-12)13-9-5-6-10-14(13)16(18)19/h2-11H,1H3,(H,18,19) |
| InChIKey | NOXQSAGHTHUFPX-UHFFFAOYSA-N |
| Mol Weight | 254.28 g/mol |
| Molecular Formula | C16H14O3 |
| Exact Mass | 254.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kdua3CX6Od |
|---|---|
| Name | 2-(1-Methyl-2-oxo-2-phenylethyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.094294308 u |
| Formula | C16H14O3 |
| InChI | InChI=1S/C16H14O3/c1-11(15(17)12-7-3-2-4-8-12)13-9-5-6-10-14(13)16(18)19/h2-11H,1H3,(H,18,19) |
| InChIKey | NOXQSAGHTHUFPX-UHFFFAOYSA-N |
| Molecular Weight | 254.285 g/mol |
| SMILES | C(C=1C(=CC=CC1)C(C(C=1C=CC=CC1)=O)C)(=O)O |