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

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1,1'-(4-Hydroxy-6-etyloxy-1,3-phenylene)bisethanone
SpectraBase Compound ID ByTEATqiB5Z
InChI InChI=1S/C12H14O4/c1-4-16-12-6-11(15)9(7(2)13)5-10(12)8(3)14/h5-6,15H,4H2,1-3H3
InChIKey MKNUJMMNIWLIOT-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

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SpectraBase Spectrum ID AmOBvhZ7ShH
Name 1,1'-(4-Hydroxy-6-etyloxy-1,3-phenylene)bisethanone
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/c1-4-16-12-6-11(15)9(7(2)13)5-10(12)8(3)14/h5-6,15H,4H2,1-3H3
InChIKey MKNUJMMNIWLIOT-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C1(=CC(OCC)=C(C=C1C(C)=O)C(=O)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912758