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Dimethylmalonic acid, monochloride, neopentyl ester

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Dimethylmalonic acid, monochloride, neopentyl ester
SpectraBase Compound ID FgqARxLPNaS
InChI InChI=1S/C10H17ClO3/c1-9(2,3)6-14-8(13)10(4,5)7(11)12/h6H2,1-5H3
InChIKey PLRQBCQJESPELA-UHFFFAOYSA-N
Mol Weight 220.7 g/mol
Molecular Formula C10H17ClO3
Exact Mass 220.086622 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8vadY1IK3Mb
Name Dimethylmalonic acid, monochloride, neopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.086622104 u
Formula C10H17ClO3
InChI InChI=1S/C10H17ClO3/c1-9(2,3)6-14-8(13)10(4,5)7(11)12/h6H2,1-5H3
InChIKey PLRQBCQJESPELA-UHFFFAOYSA-N
Molecular Weight 220.696 g/mol
SMILES CC(C)(COC(=O)C(C)(C)C(Cl)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968209