| SpectraBase Compound ID | 8WTXlmdzt0L |
|---|---|
| InChI | InChI=1S/C16H28Cl2O4/c1-2-3-4-5-9-12-21-15(19)10-7-6-8-11-16(20)22-13-14(17)18/h14H,2-13H2,1H3 |
| InChIKey | YYAGXFGBIRDTGT-UHFFFAOYSA-N |
| Mol Weight | 355.3 g/mol |
| Molecular Formula | C16H28Cl2O4 |
| Exact Mass | 354.136465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A2rZWY2Pnc7 |
|---|---|
| Name | Pimelic acid, 2,2-dichloroethyl heptyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H28Cl2O4 |
| InChI | InChI=1S/C16H28Cl2O4/c1-2-3-4-5-9-12-21-15(19)10-7-6-8-11-16(20)22-13-14(17)18/h14H,2-13H2,1H3 |
| InChIKey | YYAGXFGBIRDTGT-UHFFFAOYSA-N |
| Molecular Weight | 355.302 g/mol |
| SMILES | C(CCCCCC(OCC(Cl)Cl)=O)(OCCCCCCC)=O |
| SPLASH | splash10-052f-9410000000-0b828b95d33ea1b2d6e0 |
| Source of Spectrum | TIPS-2022-897-0 |
| Wiley ID | 1822414 |