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3-(2,4-dibromo-5-hydroxyphenyl)hexahydro-1-methyl-2H-azepin-2-one

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(2,4-dibromo-5-hydroxyphenyl)hexahydro-1-methyl-2H-azepin-2-one
SpectraBase Compound ID 9E37UdaEmmY
InChI InChI=1S/C13H15Br2NO2/c1-16-5-3-2-4-8(13(16)18)9-6-12(17)11(15)7-10(9)14/h6-8,17H,2-5H2,1H3
InChIKey OZRJIVUKAOHRHK-UHFFFAOYSA-N
Mol Weight 377.08 g/mol
Molecular Formula C13H15Br2NO2
Exact Mass 374.946955 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8Vfw5dGkCVU
Name 3-(2,4-DIBROMO-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 C13H15Br2NO2
InChI InChI=1S/C13H15Br2NO2/c1-16-5-3-2-4-8(13(16)18)9-6-12(17)11(15)7-10(9)14/h6-8,17H,2-5H2,1H3
InChIKey OZRJIVUKAOHRHK-UHFFFAOYSA-N
Literature Reference EUR. J. MED. CHEM. 15, 375(1980)
Melting Point 205-207C
Molecular Weight 377.088013
Synonyms 2H-AZEPIN-2-ONE, 3-/2,4-DIBROMO- 5-HYDROXYPHENYL/HEXAHYDRO-1-METHYL-,
Technique KBr WAFER