| SpectraBase Compound ID | 7rk48uRe0UJ |
|---|---|
| InChI | InChI=1S/C17H13ClO4/c1-11(19)17-14(20)7-4-8-15(17)22-16(21)10-9-12-5-2-3-6-13(12)18/h2-10,20H,1H3/b10-9+ |
| InChIKey | RIZAOKADMPPRQA-MDZDMXLPSA-N |
| Mol Weight | 316.74 g/mol |
| Molecular Formula | C17H13ClO4 |
| Exact Mass | 316.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1WEHJOUpqj5 |
|---|---|
| Name | 2'-(2-Chlorocinnamoyloxy)-6'-hydroxyacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.050236595 u |
| Formula | C17H13ClO4 |
| InChI | InChI=1S/C17H13ClO4/c1-11(19)17-14(20)7-4-8-15(17)22-16(21)10-9-12-5-2-3-6-13(12)18/h2-10,20H,1H3/b10-9+ |
| InChIKey | RIZAOKADMPPRQA-MDZDMXLPSA-N |
| Molecular Weight | 316.740 g/mol |
| SMILES | C=1(C(OC(\C=C\C=2C(Cl)=CC=CC2)=O)=CC=CC1O)C(=O)C |