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4-(3-chloro-p-tolyl)-5-veratryl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID JkkxFOygvVx
InChI InChI=1S/C18H18ClN3O2S/c1-11-4-6-13(10-14(11)19)22-17(20-21-18(22)25)9-12-5-7-15(23-2)16(8-12)24-3/h4-8,10H,9H2,1-3H3,(H,21,25)
InChIKey GDMOSTALIWRZTH-UHFFFAOYSA-N
Mol Weight 375.87 g/mol
Molecular Formula C18H18ClN3O2S
Exact Mass 375.080826 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ll5sEnNaRQu
Name 4-(3-chloro-p-tolyl)-5-veratryl-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClN3O2S
InChI InChI=1S/C18H18ClN3O2S/c1-11-4-6-13(10-14(11)19)22-17(20-21-18(22)25)9-12-5-7-15(23-2)16(8-12)24-3/h4-8,10H,9H2,1-3H3,(H,21,25)
InChIKey GDMOSTALIWRZTH-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 46070M
Solvent DMSO-d6