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3-(2-bromo-5-hydroxyphenyl)hexahydro-1-methyl-2H-azepin-2-one

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3-(2-bromo-5-hydroxyphenyl)hexahydro-1-methyl-2H-azepin-2-one
SpectraBase Compound ID ChrbQuyhKej
InChI InChI=1S/C13H16BrNO2/c1-15-7-3-2-4-10(13(15)17)11-8-9(16)5-6-12(11)14/h5-6,8,10,16H,2-4,7H2,1H3
InChIKey XHJJXVZHLYTWJY-UHFFFAOYSA-N
Mol Weight 298.18 g/mol
Molecular Formula C13H16BrNO2
Exact Mass 297.036442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9flvNAdA9Ae
Name 3-(2-BROMO-5-HYDROXYPHENYL)HEXAHYDRO-1-METHYL-2H-AZEPIN-2-ONE
Source of Sample A. C. White, Wyeth Laboratories, Berkshire, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16BrNO2
InChI InChI=1S/C13H16BrNO2/c1-15-7-3-2-4-10(13(15)17)11-8-9(16)5-6-12(11)14/h5-6,8,10,16H,2-4,7H2,1H3
InChIKey XHJJXVZHLYTWJY-UHFFFAOYSA-N
Melting Point 160-163C
Molecular Weight 298.19
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2H-AZEPIN-2-ONE, 3-/2-BROMO-5-HYDROXYPHENYL/HEXAHYDRO-1-METHYL-,