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4-bromo-N-[(15S)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide

View entire compound with spectra: 2 NMR

4-bromo-N-[(15S)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide
SpectraBase Compound ID Fs6GNdluelc
InChI InChI=1S/C25H17BrN2O3/c26-14-11-9-13(10-12-14)23(29)27-28-24(30)21-19-15-5-1-2-6-16(15)20(22(21)25(28)31)18-8-4-3-7-17(18)19/h1-12,19-22H,(H,27,29)/t19-,20+,21-,22+
InChIKey DYAWEAMPTTTYSS-COPRSSIGSA-N
Mol Weight 473.33 g/mol
Molecular Formula C25H17BrN2O3
Exact Mass 472.042255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 32tezow7LKc
Name 4-Bromo-N-[(15S)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.042255412 u
Formula C25H17BrN2O3
InChI InChI=1S/C25H17BrN2O3/c26-14-11-9-13(10-12-14)23(29)27-28-24(30)21-19-15-5-1-2-6-16(15)20(22(21)25(28)31)18-8-4-3-7-17(18)19/h1-12,19-22H,(H,27,29)/t19-,20+,21-,22+
InChIKey DYAWEAMPTTTYSS-COPRSSIGSA-N
Molecular Weight 473.326 g/mol
SMILES N(N1C([C@]2([C@]3(C4=CC=CC=C4[C@@]([C@]2(C1=O)[H])(C=1C=CC=CC31)[H])[H])[H])=O)C(C=1C=CC(=CC1)Br)=O