| SpectraBase Compound ID | E8ZXBEZgnia |
|---|---|
| InChI | InChI=1S/C18H17ClO5/c1-2-3-11-22-18(21)24-14-8-6-7-13(12-14)23-17(20)15-9-4-5-10-16(15)19/h4-10,12H,2-3,11H2,1H3 |
| InChIKey | AFSHAAAGFNKMAT-UHFFFAOYSA-N |
| Mol Weight | 348.78 g/mol |
| Molecular Formula | C18H17ClO5 |
| Exact Mass | 348.076451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Uk9OMgTlAV |
|---|---|
| Name | 1,3-Benzenediol, o-butoxycarbonyl-o'-(2-chlorobenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.076451342 u |
| Formula | C18H17ClO5 |
| InChI | InChI=1S/C18H17ClO5/c1-2-3-11-22-18(21)24-14-8-6-7-13(12-14)23-17(20)15-9-4-5-10-16(15)19/h4-10,12H,2-3,11H2,1H3 |
| InChIKey | AFSHAAAGFNKMAT-UHFFFAOYSA-N |
| Molecular Weight | 348.782 g/mol |
| SMILES | C1(=CC=CC(=C1)OC(=O)OCCCC)OC(C1=CC=CC=C1Cl)=O |