For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(2,4-Dimethoxyphenyl)butane-1,3-dione

View entire compound with spectra: 1 NMR, and 1 FTIR

1-(2,4-Dimethoxyphenyl)butane-1,3-dione
SpectraBase Compound ID LtcU9qnhDeZ
InChI InChI=1S/C12H14O4/c1-8(13)6-11(14)10-5-4-9(15-2)7-12(10)16-3/h4-5,7H,6H2,1-3H3
InChIKey AGKXFNIJKRGQMC-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID G5dHWBuWAG8
Name 1-(2,4-Dimethoxyphenyl)butane-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-8(13)6-11(14)10-5-4-9(15-2)7-12(10)16-3/h4-5,7H,6H2,1-3H3
InChIKey AGKXFNIJKRGQMC-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C1=C(C(C(CC(C)=O)=O)=CC=C1OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955489