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2,4-dichloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide

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2,4-dichloro-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]benzamide
SpectraBase Compound ID HXUptVE0Pty
InChI InChI=1S/C17H13Cl2N3O2S/c1-24-12-5-2-10(3-6-12)8-15-21-22-17(25-15)20-16(23)13-7-4-11(18)9-14(13)19/h2-7,9H,8H2,1H3,(H,20,22,23)
InChIKey YTFKFPRRHIADQE-UHFFFAOYSA-N
Mol Weight 394.28 g/mol
Molecular Formula C17H13Cl2N3O2S
Exact Mass 393.010553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYUWWQ5ctbg
Name 2,4-Dichloro-N-[5-(4-methoxybenzyl)-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 393.010553243 u
Formula C17H13Cl2N3O2S
InChI InChI=1S/C17H13Cl2N3O2S/c1-24-12-5-2-10(3-6-12)8-15-21-22-17(25-15)20-16(23)13-7-4-11(18)9-14(13)19/h2-7,9H,8H2,1H3,(H,20,22,23)
InChIKey YTFKFPRRHIADQE-UHFFFAOYSA-N
Molecular Weight 394.276 g/mol
SMILES N(C(C1=C(C=C(C=C1)Cl)Cl)=O)C=1SC(CC=2C=CC(=CC2)OC)=NN1