| SpectraBase Compound ID | Hn2m13rg7I2 |
|---|---|
| InChI | InChI=1S/C16H17Cl5O4/c1-4-5-6-7-24-14(22)16(2,3)15(23)25-13-11(20)9(18)8(17)10(19)12(13)21/h4-7H2,1-3H3 |
| InChIKey | NEPNDOICGJFDPC-UHFFFAOYSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C16H17Cl5O4 |
| Exact Mass | 447.956948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8UK5mHly0Ag |
|---|---|
| Name | Dimethylmalonic acid, pentachlorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 447.956947523 u |
| Formula | C16H17Cl5O4 |
| InChI | InChI=1S/C16H17Cl5O4/c1-4-5-6-7-24-14(22)16(2,3)15(23)25-13-11(20)9(18)8(17)10(19)12(13)21/h4-7H2,1-3H3 |
| InChIKey | NEPNDOICGJFDPC-UHFFFAOYSA-N |
| Molecular Weight | 450.573 g/mol |
| SMILES | CCCCCOC(C(C)(C)C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O)=O |