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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
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Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JuR3hHaAYth
Name 3-(2,4-Dibromo-5-hydroxyphenyl)hexahydro-1-methyl-2H-azepin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.946954725 u
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
Molecular Weight 377.076 g/mol
SMILES OC=1C=C(C(=CC1Br)Br)C1CCCCN(C1=O)C
Spectrum/Structure Validation Score (Raman) 0.718141
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