| SpectraBase Compound ID | Cl0yeFleucP |
|---|---|
| InChI | InChI=1S/C19H16ClNO2/c1-13-7-8-14(2)21(13)15-9-11-16(12-10-15)23-19(22)17-5-3-4-6-18(17)20/h3-12H,1-2H3 |
| InChIKey | WXLIBMGFKIUXDI-UHFFFAOYSA-N |
| Mol Weight | 325.8 g/mol |
| Molecular Formula | C19H16ClNO2 |
| Exact Mass | 325.086956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Q4wG8wvY1o |
|---|---|
| Name | 4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl 2-chlorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.086956457 u |
| Formula | C19H16ClNO2 |
| InChI | InChI=1S/C19H16ClNO2/c1-13-7-8-14(2)21(13)15-9-11-16(12-10-15)23-19(22)17-5-3-4-6-18(17)20/h3-12H,1-2H3 |
| InChIKey | WXLIBMGFKIUXDI-UHFFFAOYSA-N |
| Molecular Weight | 325.795 g/mol |
| SMILES | C=1C=CC(C(OC2=CC=C(N3C(=CC=C3C)C)C=C2)=O)=C(Cl)C1 |