| SpectraBase Compound ID | AUELiOcEIFu |
|---|---|
| InChI | InChI=1S/C16H21ClO4/c1-3-10-20-15(18)6-4-5-7-16(19)21-13-8-9-14(17)12(2)11-13/h8-9,11H,3-7,10H2,1-2H3 |
| InChIKey | ORHPMXDJYVIERM-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 | 9iMSooTpVPc |
|---|---|
| Name | Adipic acid, 3-methyl-4-chlorophenyl 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/c1-3-10-20-15(18)6-4-5-7-16(19)21-13-8-9-14(17)12(2)11-13/h8-9,11H,3-7,10H2,1-2H3 |
| InChIKey | ORHPMXDJYVIERM-UHFFFAOYSA-N |
| Molecular Weight | 312.793 g/mol |
| SMILES | C(=O)(CCCCC(OCCC)=O)OC1=CC(=C(C=C1)Cl)C |