| SpectraBase Compound ID | 5rHiwYJYkHv |
|---|---|
| InChI | InChI=1S/C19H19ClO4/c1-3-4-11-23-18(21)15-7-5-6-8-16(15)19(22)24-14-9-10-17(20)13(2)12-14/h5-10,12H,3-4,11H2,1-2H3 |
| InChIKey | WAOWRLPEKKNFQT-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 | 6CtFzysByxx |
|---|---|
| Name | Phthalic acid, butyl 4-chloro-3-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/c1-3-4-11-23-18(21)15-7-5-6-8-16(15)19(22)24-14-9-10-17(20)13(2)12-14/h5-10,12H,3-4,11H2,1-2H3 |
| InChIKey | WAOWRLPEKKNFQT-UHFFFAOYSA-N |
| Molecular Weight | 346.810 g/mol |
| SMILES | C(C1=C(C(OCCCC)=O)C=CC=C1)(OC1=CC=C(C(=C1)C)Cl)=O |