| SpectraBase Compound ID | DIwVuBkGA7M |
|---|---|
| InChI | InChI=1S/C17H21Cl3O4/c1-2-3-4-5-6-11-23-14(21)9-10-15(22)24-17-13(19)8-7-12(18)16(17)20/h7-8H,2-6,9-11H2,1H3 |
| InChIKey | HCCNIZQNNWYAGN-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 | CUHAazsvlrg |
|---|---|
| Name | Succinic acid, heptyl 2,3,6-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/c1-2-3-4-5-6-11-23-14(21)9-10-15(22)24-17-13(19)8-7-12(18)16(17)20/h7-8H,2-6,9-11H2,1H3 |
| InChIKey | HCCNIZQNNWYAGN-UHFFFAOYSA-N |
| Molecular Weight | 395.710 g/mol |
| SMILES | C(C(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)CC(OCCCCCCC)=O |