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(1r,5s,6R,9S,10s,11r,12S,15R)-3-[(4-Bromo-3-chlorobenzoyl)amino]-3-azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,15)]pentadeca-7,13-diene-2,4-dione
SpectraBase Compound ID DAwo1E0bQiz
InChI InChI=1S/C21H14BrClN2O3/c22-13-6-1-8(7-14(13)23)17(26)24-25-18(27)20-9-2-3-10-15(9)16-11(20)4-5-12(16)21(10,20)19(25)28/h1-7,9-12,15-16H,(H,24,26)/t9-,10+,11+,12-,15-,16+,20-,21-
InChIKey VGSUUPLPENMZFI-OGMHZXJQSA-N
Mol Weight 457.71 g/mol
Molecular Formula C21H14BrClN2O3
Exact Mass 455.987633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DH4r9CAgapo
Name (1r,5s,6R,9S,10s,11r,12S,15R)-3-[(4-Bromo-3-chlorobenzoyl)amino]-3-azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,15)]pentadeca-7,13-diene-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14BrClN2O3
InChI InChI=1S/C21H14BrClN2O3/c22-13-6-1-8(7-14(13)23)17(26)24-25-18(27)20-9-2-3-10-15(9)16-11(20)4-5-12(16)21(10,20)19(25)28/h1-7,9-12,15-16H,(H,24,26)/t9-,10+,11+,12-,15-,16+,20-,21-
InChIKey VGSUUPLPENMZFI-OGMHZXJQSA-N
Literature Reference DOI 10.1002/cmdc.201000306
Molecular Weight 457.711 g/mol
SMILES N(N1C([C@]23[C@@]4(C=C[C@]5([C@@]4([C@]4([C@@]3(C=C[C@]4([C@]25C1=O)[H])[H])[H])[H])[H])[H])=O)C(=O)c1ccc(c(c1)Cl)Br
SPLASH splash10-0gb9-0984000000-c8cddc3df1b870915cc6
Source of Spectrum CMC-5-2072/SM5-7l
Wiley ID 1771672