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4-bromo-N-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzamide

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4-bromo-N-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzamide
SpectraBase Compound ID BanpGfwhZIn
InChI InChI=1S/C16H13BrN2O3/c17-11-5-3-8(4-6-11)14(20)18-19-15(21)12-9-1-2-10(7-9)13(12)16(19)22/h1-6,9-10,12-13H,7H2,(H,18,20)/t9-,10+,12+,13?/m1/s1
InChIKey RIMPTBZGDBXUFE-AFEADNKKSA-N
Mol Weight 361.2 g/mol
Molecular Formula C16H13BrN2O3
Exact Mass 360.010955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CajZEcCLOaD
Name 4-Bromo-N-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.010955284 u
Formula C16H13BrN2O3
InChI InChI=1S/C16H13BrN2O3/c17-11-5-3-8(4-6-11)14(20)18-19-15(21)12-9-1-2-10(7-9)13(12)16(19)22/h1-6,9-10,12-13H,7H2,(H,18,20)/t9-,10+,12+,13?/m1/s1
InChIKey RIMPTBZGDBXUFE-AFEADNKKSA-N
Molecular Weight 361.195 g/mol
SMILES N(N1C(C2[C@@]3(C[C@@](C=C3)([C@@]2(C1=O)[H])[H])[H])=O)C(C1=CC=C(C=C1)Br)=O