| SpectraBase Compound ID | DpgpFlhmxLB |
|---|---|
| InChI | InChI=1S/C16H13ClO5/c1-2-20-16(19)22-12-7-5-6-11(10-12)21-15(18)13-8-3-4-9-14(13)17/h3-10H,2H2,1H3 |
| InChIKey | IJGJGYTYIIQSIW-UHFFFAOYSA-N |
| Mol Weight | 320.73 g/mol |
| Molecular Formula | C16H13ClO5 |
| Exact Mass | 320.045151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8mgj5VcUa09 |
|---|---|
| Name | 1,3-Benzenediol, o-(2-chlorobenzoyl)-o'-ethoxycarbonyl- |
| 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/c1-2-20-16(19)22-12-7-5-6-11(10-12)21-15(18)13-8-3-4-9-14(13)17/h3-10H,2H2,1H3 |
| InChIKey | IJGJGYTYIIQSIW-UHFFFAOYSA-N |
| Molecular Weight | 320.728 g/mol |
| SMILES | C1(=CC=CC(=C1)OC(OCC)=O)OC(C1=CC=CC=C1Cl)=O |