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3-(2-Chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinazolin-4-one
SpectraBase Compound ID 550QYhoJvXx
InChI InChI=1S/C18H13ClN4OS2/c1-11-21-22-18(26-11)25-10-16-20-14-8-4-2-6-12(14)17(24)23(16)15-9-5-3-7-13(15)19/h2-9H,10H2,1H3
InChIKey YQOMBGAYPHJRFC-UHFFFAOYSA-N
Mol Weight 400.9 g/mol
Molecular Formula C18H13ClN4OS2
Exact Mass 400.021931 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JjtBJ612I1G
Name 4(3H)-quinazolinone, 3-(2-chlorophenyl)-2-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.021931102 u
Formula C18H13ClN4OS2
InChI InChI=1S/C18H13ClN4OS2/c1-11-21-22-18(26-11)25-10-16-20-14-8-4-2-6-12(14)17(24)23(16)15-9-5-3-7-13(15)19/h2-9H,10H2,1H3
InChIKey YQOMBGAYPHJRFC-UHFFFAOYSA-N
Molecular Weight 400.902 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4812
Solvent DMSO-d6
Source Vendor ID: NMR/9301188; Lab Info: LP; Lab Number: LP-2191319