| SpectraBase Compound ID | DMlb8LRhisV |
|---|---|
| InChI | InChI=1S/C16H14O5/c1-19-14-6-4-3-5-13(14)16(18)21-12-9-7-11(8-10-12)15(17)20-2/h3-10H,1-2H3 |
| InChIKey | CTXJMMGFFBIDDG-UHFFFAOYSA-N |
| Mol Weight | 286.28 g/mol |
| Molecular Formula | C16H14O5 |
| Exact Mass | 286.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | enTIB1doJm |
|---|---|
| Name | Benzoic acid, 2-methoxy-, 4-(methoxycarbonyl)phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.084123546 u |
| Formula | C16H14O5 |
| InChI | InChI=1S/C16H14O5/c1-19-14-6-4-3-5-13(14)16(18)21-12-9-7-11(8-10-12)15(17)20-2/h3-10H,1-2H3 |
| InChIKey | CTXJMMGFFBIDDG-UHFFFAOYSA-N |
| SMILES | C(C=1C(OC)=CC=CC1)(OC1=CC=C(C(=O)OC)C=C1)=O |