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7-(4-Bromophenyl)-5,6,6A,7-tetrahydronaphtho[2,1-C][1,5]benzothiazepine

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7-(4-Bromophenyl)-5,6,6A,7-tetrahydronaphtho[2,1-C][1,5]benzothiazepine
SpectraBase Compound ID Ax7Ji3GBCtZ
InChI InChI=1S/C23H18BrNS/c24-17-12-9-16(10-13-17)23-19-14-11-15-5-1-2-6-18(15)22(19)25-20-7-3-4-8-21(20)26-23/h1-10,12-13,19,23H,11,14H2
InChIKey ZWFDWJWIXMUZBE-UHFFFAOYSA-N
Mol Weight 420.37 g/mol
Molecular Formula C23H18BrNS
Exact Mass 419.034334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQgB3gN9vmz
Name 7-(4-Bromophenyl)-5,6,6A,7-tetrahydronaphtho[2,1-C][1,5]benzothiazepine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.034333758 u
Formula C23H18BrNS
InChI InChI=1S/C23H18BrNS/c24-17-12-9-16(10-13-17)23-19-14-11-15-5-1-2-6-18(15)22(19)25-20-7-3-4-8-21(20)26-23/h1-10,12-13,19,23H,11,14H2
InChIKey ZWFDWJWIXMUZBE-UHFFFAOYSA-N
Molecular Weight 420.368 g/mol
SMILES C12=CC=CC=C2N=C2C3=CC=CC=C3CCC2C(C2=CC=C(C=C2)Br)S1