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Diethyl 2-(3,5-dimethylbenzyl)malonate

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

Diethyl 2-(3,5-dimethylbenzyl)malonate
SpectraBase Compound ID hodhADTHlG
InChI InChI=1S/C16H22O4/c1-5-19-15(17)14(16(18)20-6-2)10-13-8-11(3)7-12(4)9-13/h7-9,14H,5-6,10H2,1-4H3
InChIKey YQDNOUUVUBGJGX-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FA4sBa7rFB8
Name Diethyl 2-(3,5-dimethylbenzyl)malonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.151809184 u
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-5-19-15(17)14(16(18)20-6-2)10-13-8-11(3)7-12(4)9-13/h7-9,14H,5-6,10H2,1-4H3
InChIKey YQDNOUUVUBGJGX-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES C=1(C=C(CC(C(=O)OCC)C(=O)OCC)C=C(C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959839