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Propanoic acid, 2,2-dimethyl-, 1,1-dimethyl-2-oxopropyl ester

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Propanoic acid, 2,2-dimethyl-, 1,1-dimethyl-2-oxopropyl ester
SpectraBase Compound ID 2iqpXHqHngE
InChI InChI=1S/C10H18O3/c1-7(11)10(5,6)13-8(12)9(2,3)4/h1-6H3
InChIKey PHJUCZJHVYBHLM-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jd7iGtvgYPV
Name Propanoic acid, 2,2-dimethyl-, 1,1-dimethyl-2-oxopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.125594437 u
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-7(11)10(5,6)13-8(12)9(2,3)4/h1-6H3
InChIKey PHJUCZJHVYBHLM-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES C(OC(C(=O)C)(C)C)(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807272