| SpectraBase Compound ID | JNb5UFcPXWZ |
|---|---|
| InChI | InChI=1S/C19H27ClO5/c1-2-3-4-5-8-13-24-18(21)11-12-19(22)25-15-14-23-17-10-7-6-9-16(17)20/h6-7,9-10H,2-5,8,11-15H2,1H3 |
| InChIKey | BWADBRVWFQORHU-UHFFFAOYSA-N |
| Mol Weight | 370.87 g/mol |
| Molecular Formula | C19H27ClO5 |
| Exact Mass | 370.154702 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3nRUPXoMTRI |
|---|---|
| Name | Succinic acid, 2-(2-chlorophenoxy)ethyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.154701664 u |
| Formula | C19H27ClO5 |
| InChI | InChI=1S/C19H27ClO5/c1-2-3-4-5-8-13-24-18(21)11-12-19(22)25-15-14-23-17-10-7-6-9-16(17)20/h6-7,9-10H,2-5,8,11-15H2,1H3 |
| InChIKey | BWADBRVWFQORHU-UHFFFAOYSA-N |
| Molecular Weight | 370.873 g/mol |
| SMILES | C(CCC(OCCOC1=CC=CC=C1Cl)=O)(OCCCCCCC)=O |