| SpectraBase Compound ID | HKDqz8nzQqW |
|---|---|
| InChI | InChI=1S/C16H13ClO5/c1-20-12-5-3-11(4-6-12)16(19)22-15-13(17)7-10(9-18)8-14(15)21-2/h3-9H,1-2H3 |
| InChIKey | ODZUYYZALJNNJN-UHFFFAOYSA-N |
| Mol Weight | 320.73 g/mol |
| Molecular Formula | C16H13ClO5 |
| Exact Mass | 320.045151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSXkTw0v3Uk |
|---|---|
| Name | Benzoic acid, 4-methoxy-, 2-chloro-4-formyl-6-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.045151214 u |
| Formula | C16H13ClO5 |
| InChI | InChI=1S/C16H13ClO5/c1-20-12-5-3-11(4-6-12)16(19)22-15-13(17)7-10(9-18)8-14(15)21-2/h3-9H,1-2H3 |
| InChIKey | ODZUYYZALJNNJN-UHFFFAOYSA-N |
| Molecular Weight | 320.728 g/mol |
| SMILES | C=1(OC(C2=CC=C(C=C2)OC)=O)C(=CC(=CC1OC)C=O)Cl |