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Bis(2-methylpropyl) 4,5-dimethylbenzene-1,2-dicarboxylate

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

Bis(2-methylpropyl) 4,5-dimethylbenzene-1,2-dicarboxylate
SpectraBase Compound ID Ige6FW7zlOo
InChI InChI=1S/C18H26O4/c1-11(2)9-21-17(19)15-7-13(5)14(6)8-16(15)18(20)22-10-12(3)4/h7-8,11-12H,9-10H2,1-6H3
InChIKey UXJZXXDTAONNKL-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GyXqYoo6p9f
Name bis(2-Methylpropyl) 4,5-dimethylbenzene-1,2-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.183109313 u
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-11(2)9-21-17(19)15-7-13(5)14(6)8-16(15)18(20)22-10-12(3)4/h7-8,11-12H,9-10H2,1-6H3
InChIKey UXJZXXDTAONNKL-UHFFFAOYSA-N
Molecular Weight 306.402 g/mol
SMILES C1=C(C(=CC(=C1C)C)C(OCC(C)C)=O)C(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950235