| SpectraBase Compound ID | LjFe7CsFM2E |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-2-11-20-15(18)8-5-9-16(19)21-12-10-13-6-3-4-7-14(13)17/h3-4,6-7H,2,5,8-12H2,1H3 |
| InChIKey | NRMVBBLDBWFORC-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 | BHtWflcg5eU |
|---|---|
| Name | Glutaric acid, 2-(2-chlorophenyl)ethyl propyl 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/c1-2-11-20-15(18)8-5-9-16(19)21-12-10-13-6-3-4-7-14(13)17/h3-4,6-7H,2,5,8-12H2,1H3 |
| InChIKey | NRMVBBLDBWFORC-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(OCCC1=C(C=CC=C1)Cl)(=O)CCCC(OCCC)=O |