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acetamide, 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-[4-(6-methyl-2-benzothiazolyl)phenyl]-
SpectraBase Compound ID 7BwY7EDH1u
InChI InChI=1S/C30H29N5OS2/c1-20-12-17-25-26(18-20)38-29(32-25)22-13-15-23(16-14-22)31-27(36)19-37-30-34-33-28(21-8-4-2-5-9-21)35(30)24-10-6-3-7-11-24/h2,4-5,8-9,12-18,24H,3,6-7,10-11,19H2,1H3,(H,31,36)
InChIKey GPRYPSFBEXFNSI-UHFFFAOYSA-N
Mol Weight 539.72 g/mol
Molecular Formula C30H29N5OS2
Exact Mass 539.181353 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6MMjFPrQANF
Name acetamide, 2-[(4-cyclohexyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-[4-(6-methyl-2-benzothiazolyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.181352921 u
Formula C30H29N5OS2
InChI InChI=1S/C30H29N5OS2/c1-20-12-17-25-26(18-20)38-29(32-25)22-13-15-23(16-14-22)31-27(36)19-37-30-34-33-28(21-8-4-2-5-9-21)35(30)24-10-6-3-7-11-24/h2,4-5,8-9,12-18,24H,3,6-7,10-11,19H2,1H3,(H,31,36)
InChIKey GPRYPSFBEXFNSI-UHFFFAOYSA-N
Molecular Weight 539.716 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12203
Solvent DMSO-d6
Source Vendor ID: NMR/10260059; Lab Info: PRE; Lab Number: PRE-vgy0496