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acetamide, N-[4-(6-methyl-2-benzothiazolyl)phenyl]-2-[[5-phenyl-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID Ec0jgFIT7YC
InChI InChI=1S/C27H23N5OS2/c1-3-15-32-25(19-7-5-4-6-8-19)30-31-27(32)34-17-24(33)28-21-12-10-20(11-13-21)26-29-22-14-9-18(2)16-23(22)35-26/h3-14,16H,1,15,17H2,2H3,(H,28,33)
InChIKey BYQQNBDKRJXLHR-UHFFFAOYSA-N
Mol Weight 497.64 g/mol
Molecular Formula C27H23N5OS2
Exact Mass 497.134403 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6wHkwuLghnm
Name acetamide, N-[4-(6-methyl-2-benzothiazolyl)phenyl]-2-[[5-phenyl-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.134402728 u
Formula C27H23N5OS2
InChI InChI=1S/C27H23N5OS2/c1-3-15-32-25(19-7-5-4-6-8-19)30-31-27(32)34-17-24(33)28-21-12-10-20(11-13-21)26-29-22-14-9-18(2)16-23(22)35-26/h3-14,16H,1,15,17H2,2H3,(H,28,33)
InChIKey BYQQNBDKRJXLHR-UHFFFAOYSA-N
Molecular Weight 497.635 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14167
Solvent DMSO-d6
Source Vendor ID: NMR/10260060; Lab Info: PRE; Lab Number: PRE-vgy0497