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2,4-Bis(2-oxobutan-4-yl)-1,3,5-trimethoxybenzene

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

2,4-Bis(2-oxobutan-4-yl)-1,3,5-trimethoxybenzene
SpectraBase Compound ID CV9rhcIqzIB
InChI InChI=1S/C17H24O5/c1-11(18)6-8-13-15(20-3)10-16(21-4)14(17(13)22-5)9-7-12(2)19/h10H,6-9H2,1-5H3
InChIKey HHPIKIHSVUCZAN-UHFFFAOYSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8yaXmwVp3tQ
Name 2,4-bis(2-Oxobutan-4-yl)-1,3,5-trimethoxybenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.162373868 u
Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-11(18)6-8-13-15(20-3)10-16(21-4)14(17(13)22-5)9-7-12(2)19/h10H,6-9H2,1-5H3
InChIKey HHPIKIHSVUCZAN-UHFFFAOYSA-N
SMILES C=1(C(=C(C(=C(C1)OC)CCC(C)=O)OC)CCC(C)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956716