| SpectraBase Compound ID | DDWliD2434v |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-2-3-4-10-20-15(18)8-9-16(19)21-12-13-6-5-7-14(17)11-13/h5-7,11H,2-4,8-10,12H2,1H3 |
| InChIKey | BGUWXZDWELAKBE-UHFFFAOYSA-N |
| Mol Weight | 312.79 g/mol |
| Molecular Formula | C16H21ClO4 |
| Exact Mass | 312.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CwPryMfhamN |
|---|---|
| Name | Succinic acid, 3-chlorobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.112836852 u |
| Formula | C16H21ClO4 |
| InChI | InChI=1S/C16H21ClO4/c1-2-3-4-10-20-15(18)8-9-16(19)21-12-13-6-5-7-14(17)11-13/h5-7,11H,2-4,8-10,12H2,1H3 |
| InChIKey | BGUWXZDWELAKBE-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(CCC(OCC1=CC(=CC=C1)Cl)=O)(OCCCCC)=O |