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2-bromo-N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

View entire compound with spectra: 2 NMR

2-bromo-N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
SpectraBase Compound ID 2xYxQMqgHkS
InChI InChI=1S/C18H16BrN3OS/c1-2-13(12-8-4-3-5-9-12)17-21-22-18(24-17)20-16(23)14-10-6-7-11-15(14)19/h3-11,13H,2H2,1H3,(H,20,22,23)
InChIKey VILQTFGVNDIMDU-UHFFFAOYSA-N
Mol Weight 402.31 g/mol
Molecular Formula C18H16BrN3OS
Exact Mass 401.019746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DAlrNwubjHQ
Name 2-Bromo-N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.019746320 u
Formula C18H16BrN3OS
InChI InChI=1S/C18H16BrN3OS/c1-2-13(12-8-4-3-5-9-12)17-21-22-18(24-17)20-16(23)14-10-6-7-11-15(14)19/h3-11,13H,2H2,1H3,(H,20,22,23)
InChIKey VILQTFGVNDIMDU-UHFFFAOYSA-N
Molecular Weight 402.310 g/mol
SMILES N(C(C1=C(Br)C=CC=C1)=O)C=1SC(=NN1)C(C=1C=CC=CC1)CC