| SpectraBase Compound ID | EXbRcTQDZok |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-3-19-14(17)6-4-5-7-15(18)20-13-10-11(2)8-9-12(13)16/h8-10H,3-7H2,1-2H3 |
| InChIKey | KBSHCVCALKHYFO-UHFFFAOYSA-N |
| Mol Weight | 298.77 g/mol |
| Molecular Formula | C15H19ClO4 |
| Exact Mass | 298.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LSI5ZrzmLx |
|---|---|
| Name | Adipic acid, 2-chloro-5-methylphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.097186788 u |
| Formula | C15H19ClO4 |
| InChI | InChI=1S/C15H19ClO4/c1-3-19-14(17)6-4-5-7-15(18)20-13-10-11(2)8-9-12(13)16/h8-10H,3-7H2,1-2H3 |
| InChIKey | KBSHCVCALKHYFO-UHFFFAOYSA-N |
| SMILES | C(CCCC(OC1=CC(C)=CC=C1Cl)=O)C(OCC)=O |