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Diethyl 2-(2-isopropyl-5-methylbenzyl)-2-methylmalonate

View entire compound with spectra: 1 FTIR

Diethyl 2-(2-isopropyl-5-methylbenzyl)-2-methylmalonate
SpectraBase Compound ID IjCGzmb8jjh
InChI InChI=1S/C19H28O4/c1-7-22-17(20)19(6,18(21)23-8-2)12-15-11-14(5)9-10-16(15)13(3)4/h9-11,13H,7-8,12H2,1-6H3
InChIKey IEBOCFRWLJDRDA-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4VkrmSjs9IU
Name Diethyl 2-(2-isopropyl-5-methylbenzyl)-2-methylmalonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-7-22-17(20)19(6,18(21)23-8-2)12-15-11-14(5)9-10-16(15)13(3)4/h9-11,13H,7-8,12H2,1-6H3
InChIKey IEBOCFRWLJDRDA-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C1=C(C=C(C(=C1)C(C)C)CC(C(=O)OCC)(C(OCC)=O)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939933