| SpectraBase Compound ID | 2Ju0sZ1bPyk |
|---|---|
| InChI | InChI=1S/C14H12O3/c1-11-7-9-13(10-8-11)17-14(15)16-12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | IDTODQQHHXCCBI-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C14H12O3 |
| Exact Mass | 228.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LbMBP9fjYR |
|---|---|
| Name | Carbonic acid, 4-methylphenyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.078644243 u |
| Formula | C14H12O3 |
| InChI | InChI=1S/C14H12O3/c1-11-7-9-13(10-8-11)17-14(15)16-12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | IDTODQQHHXCCBI-UHFFFAOYSA-N |
| Molecular Weight | 228.247 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C)(OC1=CC=CC=C1)=O |