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Hexanoic acid, 3,5,5-trimethyl-, 2,2-dichloroethyl ester

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Hexanoic acid, 3,5,5-trimethyl-, 2,2-dichloroethyl ester
SpectraBase Compound ID 67rBNBHA2Kp
InChI InChI=1S/C11H20Cl2O2/c1-8(6-11(2,3)4)5-10(14)15-7-9(12)13/h8-9H,5-7H2,1-4H3
InChIKey RSKTUVAAPJFFDM-UHFFFAOYSA-N
Mol Weight 255.18 g/mol
Molecular Formula C11H20Cl2O2
Exact Mass 254.084035 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Atl11npk502
Name Hexanoic acid, 3,5,5-trimethyl-, 2,2-dichloroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.084035282 u
Formula C11H20Cl2O2
InChI InChI=1S/C11H20Cl2O2/c1-8(6-11(2,3)4)5-10(14)15-7-9(12)13/h8-9H,5-7H2,1-4H3
InChIKey RSKTUVAAPJFFDM-UHFFFAOYSA-N
Molecular Weight 255.185 g/mol
SMILES C(CC(OCC(Cl)Cl)=O)(CC(C)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945714