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6,11,dlhydro-11-oxodibenz[b,e]oxepin-3-acetic acid
SpectraBase Compound ID XXD8yUvHxh
InChI InChI=1S/C16H12O4/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)
InChIKey PYIHCGFQQSKYBO-UHFFFAOYSA-N
Mol Weight 268.27 g/mol
Molecular Formula C16H12O4
Exact Mass 268.073559 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CnvEDoPA3yY
Name 6,11-DIHYDRO-11-OXODIBENZ[b,e]OXEPIN-3-ACETIC ACID
Source of Sample K. Ueno, Daiichi Seiyaku Company Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O4
InChI InChI=1S/C16H12O4/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19/h1-7H,8-9H2,(H,17,18)
InChIKey PYIHCGFQQSKYBO-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 19, 941(1976)
Melting Point 110.5-111.5C
Molecular Weight 268.268005
Synonyms DIBENZ/B,E/OXEPIN-3-ACETIC ACID, 6,11-DIHYDRO-11-OXO-,
Technique KBr WAFER