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4-hydroxy-2,3,6-trimethoxy-5H-benzocyclohepten-5-one
SpectraBase Compound ID 8y3mySGipxt
InChI InChI=1S/C14H14O5/c1-17-9-6-4-5-8-7-10(18-2)14(19-3)13(16)11(8)12(9)15/h4-7,16H,1-3H3
InChIKey XTJAFDFIRGFIHA-UHFFFAOYSA-N
Mol Weight 262.26 g/mol
Molecular Formula C14H14O5
Exact Mass 262.084124 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LxCD1Q2WzlG
Name 4-HYDROXY-2,3,6-TRIMETHOXY-5H-BENZOCYCLOHEPTEN-5-ONE
Source of Sample M. Cory & R. M. Parkhurst, Stanford Research Institute, Menlo Park, California
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O5
InChI InChI=1S/C14H14O5/c1-17-9-6-4-5-8-7-10(18-2)14(19-3)13(16)11(8)12(9)15/h4-7,16H,1-3H3
InChIKey XTJAFDFIRGFIHA-UHFFFAOYSA-N
Literature Reference J. MED. CHEM 16, 1394(1973)
Melting Point 179-180C
Molecular Weight 262.260986
Synonyms 5H-BENZOCYCLOHEPTEN-5-ONE, 4-HYDROXY- 2,3,6-TRIMETHOXY-,
Technique KBr WAFER