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Methyl 2-(methoxycarbonyl)-3-methyl-3-(4'-methylphenyl)butanoate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Methyl 2-(methoxycarbonyl)-3-methyl-3-(4'-methylphenyl)butanoate
SpectraBase Compound ID D6Q6KioNT03
InChI InChI=1S/C15H20O4/c1-10-6-8-11(9-7-10)15(2,3)12(13(16)18-4)14(17)19-5/h6-9,12H,1-5H3
InChIKey NJYVGLIOCSQKCP-UHFFFAOYSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2sg6bMtvicm
Name Methyl 2-(methoxycarbonyl)-3-methyl-3-(4'-methylphenyl)butanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.136159120 u
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-10-6-8-11(9-7-10)15(2,3)12(13(16)18-4)14(17)19-5/h6-9,12H,1-5H3
InChIKey NJYVGLIOCSQKCP-UHFFFAOYSA-N
Molecular Weight 264.321 g/mol
SMILES C(C(C(C)(C=1C=CC(=CC1)C)C)C(=O)OC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92636