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N-Benzyl-N'-(6-bromo-benzothiazol-2-yl)-succinamide

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N-Benzyl-N'-(6-bromo-benzothiazol-2-yl)-succinamide
SpectraBase Compound ID 3sl0ap5pB9b
InChI InChI=1S/C18H16BrN3O2S/c19-13-6-7-14-15(10-13)25-18(21-14)22-17(24)9-8-16(23)20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,23)(H,21,22,24)
InChIKey UBFKTHMMSIHPIO-UHFFFAOYSA-N
Mol Weight 418.31 g/mol
Molecular Formula C18H16BrN3O2S
Exact Mass 417.014661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DU1UQf8jzKc
Name N-Benzyl-N'-(6-bromo-benzothiazol-2-yl)-succinamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.014660939 u
Formula C18H16BrN3O2S
InChI InChI=1S/C18H16BrN3O2S/c19-13-6-7-14-15(10-13)25-18(21-14)22-17(24)9-8-16(23)20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,23)(H,21,22,24)
InChIKey UBFKTHMMSIHPIO-UHFFFAOYSA-N
Molecular Weight 418.309 g/mol
SMILES C12=CC(=CC=C2N=C(S1)NC(=O)CCC(NCC1=CC=CC=C1)=O)Br