| SpectraBase Compound ID | BGloI490V50 |
|---|---|
| InChI | InChI=1S/C19H19ClO4/c1-3-4-10-23-18(21)14-6-5-7-15(12-14)19(22)24-17-11-13(2)8-9-16(17)20/h5-9,11-12H,3-4,10H2,1-2H3 |
| InChIKey | XFJDAEGOVRLVDT-UHFFFAOYSA-N |
| Mol Weight | 346.81 g/mol |
| Molecular Formula | C19H19ClO4 |
| Exact Mass | 346.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EBbjRRXczYt |
|---|---|
| Name | Isophthalic acid, butyl 2-chloro-5-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.097186788 u |
| Formula | C19H19ClO4 |
| InChI | InChI=1S/C19H19ClO4/c1-3-4-10-23-18(21)14-6-5-7-15(12-14)19(22)24-17-11-13(2)8-9-16(17)20/h5-9,11-12H,3-4,10H2,1-2H3 |
| InChIKey | XFJDAEGOVRLVDT-UHFFFAOYSA-N |
| Molecular Weight | 346.810 g/mol |
| SMILES | C1=C(C=CC=C1C(OC1=CC(C)=CC=C1Cl)=O)C(=O)OCCCC |