| SpectraBase Compound ID | J1m8NfeLUTI |
|---|---|
| InChI | InChI=1S/C15H14O3/c1-2-11-7-9-12(10-8-11)15(17)18-14-6-4-3-5-13(14)16/h3-10,16H,2H2,1H3 |
| InChIKey | FPDGIQRZNDMVFT-UHFFFAOYSA-N |
| Mol Weight | 242.27 g/mol |
| Molecular Formula | C15H14O3 |
| Exact Mass | 242.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3gHHAFa5Rdv |
|---|---|
| Name | 1,2-Benzenediol, o-(4-ethylbenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.094294308 u |
| Formula | C15H14O3 |
| InChI | InChI=1S/C15H14O3/c1-2-11-7-9-12(10-8-11)15(17)18-14-6-4-3-5-13(14)16/h3-10,16H,2H2,1H3 |
| InChIKey | FPDGIQRZNDMVFT-UHFFFAOYSA-N |
| Molecular Weight | 242.274 g/mol |
| SMILES | CCC1=CC=C(C(OC2=CC=CC=C2O)=O)C=C1 |