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Cyclohexaneacetic acid, 3-(ethoxycarbonyl)-.alpha.,.alpha.,2,4-tetramethyl-, methyl ester

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Cyclohexaneacetic acid, 3-(ethoxycarbonyl)-.alpha.,.alpha.,2,4-tetramethyl-, methyl ester
SpectraBase Compound ID 4zjSQxBZ1IR
InChI InChI=1S/C16H28O4/c1-7-20-14(17)13-10(2)8-9-12(11(13)3)16(4,5)15(18)19-6/h10-13H,7-9H2,1-6H3
InChIKey PVCNHPFFBKZNRZ-UHFFFAOYSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BRFEaC82U49
Name Cyclohexaneacetic acid, 3-(ethoxycarbonyl)-.alpha.,.alpha.,2,4-tetramethyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.198759378 u
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-7-20-14(17)13-10(2)8-9-12(11(13)3)16(4,5)15(18)19-6/h10-13H,7-9H2,1-6H3
InChIKey PVCNHPFFBKZNRZ-UHFFFAOYSA-N
SMILES C1(C(C(C(=O)OCC)C(CC1)C)C)C(C(=O)OC)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.991739