| SpectraBase Compound ID | EtjG00C7kD0 |
|---|---|
| InChI | InChI=1S/C18H14O3/c1-12-11-16(19)14-9-5-6-10-15(14)17(12)21-18(20)13-7-3-2-4-8-13/h2-11,19H,1H3 |
| InChIKey | IZDSOVHFCMEEEZ-UHFFFAOYSA-N |
| Mol Weight | 278.31 g/mol |
| Molecular Formula | C18H14O3 |
| Exact Mass | 278.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9m63HcoWImA |
|---|---|
| Name | 1,4-Naphthalenediol, 2-methyl-, 1-benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.094294308 u |
| Formula | C18H14O3 |
| InChI | InChI=1S/C18H14O3/c1-12-11-16(19)14-9-5-6-10-15(14)17(12)21-18(20)13-7-3-2-4-8-13/h2-11,19H,1H3 |
| InChIKey | IZDSOVHFCMEEEZ-UHFFFAOYSA-N |
| Molecular Weight | 278.307 g/mol |
| SMILES | C1=CC=C(C(OC=2C3=C(C(O)=CC2C)C=CC=C3)=O)C=C1 |