| SpectraBase Compound ID | BPnbeE6GH6E |
|---|---|
| InChI | InChI=1S/C17H21Cl3O4/c1-3-4-5-6-11(2)23-16(21)7-8-17(22)24-15-10-13(19)12(18)9-14(15)20/h9-11H,3-8H2,1-2H3 |
| InChIKey | ZCBGUIRCQNPJES-UHFFFAOYSA-N |
| Mol Weight | 395.71 g/mol |
| Molecular Formula | C17H21Cl3O4 |
| Exact Mass | 394.050542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Q1N9JnkhuV |
|---|---|
| Name | Succinic acid, hept-2-yl 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.050542252 u |
| Formula | C17H21Cl3O4 |
| InChI | InChI=1S/C17H21Cl3O4/c1-3-4-5-6-11(2)23-16(21)7-8-17(22)24-15-10-13(19)12(18)9-14(15)20/h9-11H,3-8H2,1-2H3 |
| InChIKey | ZCBGUIRCQNPJES-UHFFFAOYSA-N |
| Molecular Weight | 395.710 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OC=1C(=CC(=C(C1)Cl)Cl)Cl)=O |