| SpectraBase Compound ID | 3dN5NaXO3nv |
|---|---|
| InChI | InChI=1S/C17H21Cl3O4/c1-2-3-4-8-23-16(21)6-5-7-17(22)24-11-13-14(19)9-12(18)10-15(13)20/h9-10H,2-8,11H2,1H3 |
| InChIKey | RVSROZGDTUDXAS-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 | J2CxoM4S6gc |
|---|---|
| Name | Glutaric acid, pentyl 2,4,6-trichlorobenzyl 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/c1-2-3-4-8-23-16(21)6-5-7-17(22)24-11-13-14(19)9-12(18)10-15(13)20/h9-10H,2-8,11H2,1H3 |
| InChIKey | RVSROZGDTUDXAS-UHFFFAOYSA-N |
| Molecular Weight | 395.710 g/mol |
| SMILES | C(OCC=1C(Cl)=CC(=CC1Cl)Cl)(=O)CCCC(OCCCCC)=O |