| SpectraBase Compound ID | 7p8vkhq2fdb |
|---|---|
| InChI | InChI=1S/C19H19ClO4/c1-2-3-6-12-23-18(21)14-8-7-9-15(13-14)19(22)24-17-11-5-4-10-16(17)20/h4-5,7-11,13H,2-3,6,12H2,1H3 |
| InChIKey | ZBRLOBGOJHJACD-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 | 3qQuHR6MVvW |
|---|---|
| Name | Isophthalic acid, 2-chlorophenyl pentyl 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/c1-2-3-6-12-23-18(21)14-8-7-9-15(13-14)19(22)24-17-11-5-4-10-16(17)20/h4-5,7-11,13H,2-3,6,12H2,1H3 |
| InChIKey | ZBRLOBGOJHJACD-UHFFFAOYSA-N |
| Molecular Weight | 346.810 g/mol |
| SMILES | C1(=CC=CC=C1Cl)OC(C1=CC(=CC=C1)C(OCCCCC)=O)=O |