SpectraBase Compound ID | 6Vyi9PueXHO |
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InChI | InChI=1S/C10H16Cl2O4/c1-7(2)5-15-9(13)3-4-10(14)16-6-8(11)12/h7-8H,3-6H2,1-2H3 |
InChIKey | JRIJGNIUJAIFKV-UHFFFAOYSA-N |
Mol Weight | 271.14 g/mol |
Molecular Formula | C10H16Cl2O4 |
Exact Mass | 270.042564 g/mol |
SpectraBase Spectrum ID | KqcVfCAtVKf |
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Name | Succinic acid, 2,2-dichloroethyl isobutyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 270.042564391 u |
Formula | C10H16Cl2O4 |
InChI | InChI=1S/C10H16Cl2O4/c1-7(2)5-15-9(13)3-4-10(14)16-6-8(11)12/h7-8H,3-6H2,1-2H3 |
InChIKey | JRIJGNIUJAIFKV-UHFFFAOYSA-N |
SMILES | C(OCC(Cl)Cl)(CCC(OCC(C)C)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906037 |