| SpectraBase Compound ID | 6NEO3kvCpXH |
|---|---|
| InChI | InChI=1S/C19H18Cl2O4/c1-2-3-4-11-24-18(22)13-7-5-8-14(12-13)19(23)25-17-15(20)9-6-10-16(17)21/h5-10,12H,2-4,11H2,1H3 |
| InChIKey | BHGCTCFKEWKOKR-UHFFFAOYSA-N |
| Mol Weight | 381.26 g/mol |
| Molecular Formula | C19H18Cl2O4 |
| Exact Mass | 380.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmBcovGNRLZ |
|---|---|
| Name | Isophthalic acid, 2,6-dichlorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.058214456 u |
| Formula | C19H18Cl2O4 |
| InChI | InChI=1S/C19H18Cl2O4/c1-2-3-4-11-24-18(22)13-7-5-8-14(12-13)19(23)25-17-15(20)9-6-10-16(17)21/h5-10,12H,2-4,11H2,1H3 |
| InChIKey | BHGCTCFKEWKOKR-UHFFFAOYSA-N |
| Molecular Weight | 381.255 g/mol |
| SMILES | CCCCCOC(C=1C=C(C(OC2=C(C=CC=C2Cl)Cl)=O)C=CC1)=O |