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(4S)-5-Acetyl-7-bromo-4-(2-fluorophenyl)-4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-one
SpectraBase Compound ID 2H7ua3zznCg
InChI InChI=1S/C17H14BrFN2O2/c1-10(22)21-15(12-4-2-3-5-13(12)19)9-17(23)20-14-7-6-11(18)8-16(14)21/h2-8,15H,9H2,1H3,(H,20,23)/t15-/m0/s1
InChIKey ZWJSYXJGMJZGTA-HNNXBMFYSA-N
Mol Weight 377.21 g/mol
Molecular Formula C17H14BrFN2O2
Exact Mass 376.022269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bPW5sRrKwG
Name (4S)-5-Acetyl-7-bromo-4-(2-fluorophenyl)-4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-one
Alternate Name(s) (S)-5-acetyl-7-bromo-4-(2-fluorophenyl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14BrFN2O2
InChI InChI=1S/C17H14BrFN2O2/c1-10(22)21-15(12-4-2-3-5-13(12)19)9-17(23)20-14-7-6-11(18)8-16(14)21/h2-8,15H,9H2,1H3,(H,20,23)/t15-/m0/s1
InChIKey ZWJSYXJGMJZGTA-HNNXBMFYSA-N
Literature Reference DOI 10.1002/adsc.201000547
Molecular Weight 377.213 g/mol
SMILES N1c2ccc(cc2N([C@@](CC1=O)(c1ccccc1F)[H])C(=O)C)Br
SPLASH splash10-01ta-0559000000-02629069cf452dc3c202
Source of Spectrum ASC-352-2629/SM8-5j
Wiley ID 1764018