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1,1'-(4-Hydroxy-6-isopropyloxy-1,3-phenylene)bisethanone

View entire compound with spectra: 1 FTIR

1,1'-(4-Hydroxy-6-isopropyloxy-1,3-phenylene)bisethanone
SpectraBase Compound ID CEToRmx8sym
InChI InChI=1S/C13H16O4/c1-7(2)17-13-6-12(16)10(8(3)14)5-11(13)9(4)15/h5-7,16H,1-4H3
InChIKey XDYNZHSUUMTTNC-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LUMEKNIq5RA
Name 1,1'-(4-Hydroxy-6-isopropyloxy-1,3-phenylene)bisethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-7(2)17-13-6-12(16)10(8(3)14)5-11(13)9(4)15/h5-7,16H,1-4H3
InChIKey XDYNZHSUUMTTNC-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C1(=CC(OC(C)C)=C(C=C1C(C)=O)C(=O)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920982