| SpectraBase Compound ID | dM4lq11Iay |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-2-11-19-14(17)9-5-6-10-15(18)20-13-8-4-3-7-12(13)16/h3-4,7-8H,2,5-6,9-11H2,1H3 |
| InChIKey | VTGJFIYKRCHNMS-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 | 2A8kswSOdaf |
|---|---|
| Name | Adipic acid, 2-chlorophenyl propyl 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/c1-2-11-19-14(17)9-5-6-10-15(18)20-13-8-4-3-7-12(13)16/h3-4,7-8H,2,5-6,9-11H2,1H3 |
| InChIKey | VTGJFIYKRCHNMS-UHFFFAOYSA-N |
| SMILES | C(CCCCC(=O)OC1=CC=CC=C1Cl)(OCCC)=O |