| SpectraBase Compound ID | CmD3d5NJ4G4 |
|---|---|
| InChI | InChI=1S/C18H17ClO4/c1-3-9-22-17(20)13-5-4-6-14(11-13)18(21)23-16-10-12(2)7-8-15(16)19/h4-8,10-11H,3,9H2,1-2H3 |
| InChIKey | BKUDKOHFBCNLCN-UHFFFAOYSA-N |
| Mol Weight | 332.78 g/mol |
| Molecular Formula | C18H17ClO4 |
| Exact Mass | 332.081537 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 | XiPktQlkxg |
|---|---|
| Name | Isophthalic acid, 2-chloro-5-methylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.081536723 u |
| Formula | C18H17ClO4 |
| InChI | InChI=1S/C18H17ClO4/c1-3-9-22-17(20)13-5-4-6-14(11-13)18(21)23-16-10-12(2)7-8-15(16)19/h4-8,10-11H,3,9H2,1-2H3 |
| InChIKey | BKUDKOHFBCNLCN-UHFFFAOYSA-N |
| Molecular Weight | 332.783 g/mol |
| SMILES | C1=C(C=CC=C1C(OC1=CC(C)=CC=C1Cl)=O)C(=O)OCCC |