| SpectraBase Compound ID | 3ELV6UWT3vK |
|---|---|
| InChI | InChI=1S/C19H13ClO3/c20-17-7-3-6-16(11-17)19(22)23-12-18(21)15-9-8-13-4-1-2-5-14(13)10-15/h1-11H,12H2 |
| InChIKey | AUTGQPMUTMYJAP-UHFFFAOYSA-N |
| Mol Weight | 324.76 g/mol |
| Molecular Formula | C19H13ClO3 |
| Exact Mass | 324.055322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 139m9k65ox |
|---|---|
| Name | 2-Hydroxy-2'-acetonaphthone, m-chlorobenzoate(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.055321976 u |
| Formula | C19H13ClO3 |
| InChI | InChI=1S/C19H13ClO3/c20-17-7-3-6-16(11-17)19(22)23-12-18(21)15-9-8-13-4-1-2-5-14(13)10-15/h1-11H,12H2 |
| InChIKey | AUTGQPMUTMYJAP-UHFFFAOYSA-N |
| Molecular Weight | 324.763 g/mol |
| SMILES | C=12C=CC=CC1C=CC(=C2)C(COC(C=1C=CC=C(C1)Cl)=O)=O |