| SpectraBase Compound ID | Fe57fVwnsMl |
|---|---|
| InChI | InChI=1S/C19H19ClO4/c1-3-4-11-23-18(21)15-7-5-6-8-16(15)19(22)24-17-10-9-14(20)12-13(17)2/h5-10,12H,3-4,11H2,1-2H3 |
| InChIKey | CGDSKNUQIGIZNG-UHFFFAOYSA-N |
| Mol Weight | 346.81 g/mol |
| Molecular Formula | C19H19ClO4 |
| Exact Mass | 346.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 64MZA8LRa36 |
|---|---|
| Name | Phthalic acid, butyl 4-chloro-2-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)24-17-10-9-14(20)12-13(17)2/h5-10,12H,3-4,11H2,1-2H3 |
| InChIKey | CGDSKNUQIGIZNG-UHFFFAOYSA-N |
| Molecular Weight | 346.810 g/mol |
| SMILES | C1(=CC=CC=C1C(OC=1C(C)=CC(=CC1)Cl)=O)C(OCCCC)=O |