| SpectraBase Compound ID | Kjnr24AtTuq |
|---|---|
| InChI | InChI=1S/C18H24Cl2O4/c1-3-4-5-8-13(2)23-16(21)11-7-12-17(22)24-15-10-6-9-14(19)18(15)20/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3 |
| InChIKey | AMDLJDOUBLHNOA-UHFFFAOYSA-N |
| Mol Weight | 375.29 g/mol |
| Molecular Formula | C18H24Cl2O4 |
| Exact Mass | 374.105165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2SIpMHNMmx |
|---|---|
| Name | Glutaric acid, hept-2-yl 2,3-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.105164649 u |
| Formula | C18H24Cl2O4 |
| InChI | InChI=1S/C18H24Cl2O4/c1-3-4-5-8-13(2)23-16(21)11-7-12-17(22)24-15-10-6-9-14(19)18(15)20/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3 |
| InChIKey | AMDLJDOUBLHNOA-UHFFFAOYSA-N |
| Molecular Weight | 375.292 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC1=CC=CC(=C1Cl)Cl)=O |