| SpectraBase Compound ID | HSn2DTp0PbN |
|---|---|
| InChI | InChI=1S/C21H18O4/c1-23-18-11-13-19(14-12-18)24-15-16-7-9-17(10-8-16)21(22)25-20-5-3-2-4-6-20/h2-14H,15H2,1H3 |
| InChIKey | NTKJIOMQKNRQCH-UHFFFAOYSA-N |
| Mol Weight | 334.37 g/mol |
| Molecular Formula | C21H18O4 |
| Exact Mass | 334.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KgQ4UFwFah |
|---|---|
| Name | Benzoic acid, 4-(4-methoxyphenoxymethyl)-, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.120509056 u |
| Formula | C21H18O4 |
| InChI | InChI=1S/C21H18O4/c1-23-18-11-13-19(14-12-18)24-15-16-7-9-17(10-8-16)21(22)25-20-5-3-2-4-6-20/h2-14H,15H2,1H3 |
| InChIKey | NTKJIOMQKNRQCH-UHFFFAOYSA-N |
| Molecular Weight | 334.371 g/mol |
| SMILES | C(OC1=CC=CC=C1)(C1=CC=C(C=C1)COC1=CC=C(C=C1)OC)=O |