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acetamide, 2-[[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-N-[2-[[2-[(diphenylmethyl)amino]-2-oxoethyl]thio]-6-benzothiazolyl]-
SpectraBase Compound ID EFBmTkGfYAO
InChI InChI=1S/C33H26Cl2N6O2S3/c1-41-31(24-14-12-22(34)16-25(24)35)39-40-32(41)44-18-28(42)36-23-13-15-26-27(17-23)46-33(37-26)45-19-29(43)38-30(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17,30H,18-19H2,1H3,(H,36,42)(H,38,43)
InChIKey YJCZFXQRKOVCJC-UHFFFAOYSA-N
Mol Weight 705.7 g/mol
Molecular Formula C33H26Cl2N6O2S3
Exact Mass 704.065643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LG67KNvpGFE
Name acetamide, 2-[[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-N-[2-[[2-[(diphenylmethyl)amino]-2-oxoethyl]thio]-6-benzothiazolyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 704.065643021 u
Formula C33H26Cl2N6O2S3
InChI InChI=1S/C33H26Cl2N6O2S3/c1-41-31(24-14-12-22(34)16-25(24)35)39-40-32(41)44-18-28(42)36-23-13-15-26-27(17-23)46-33(37-26)45-19-29(43)38-30(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17,30H,18-19H2,1H3,(H,36,42)(H,38,43)
InChIKey YJCZFXQRKOVCJC-UHFFFAOYSA-N
Molecular Weight 705.697 g/mol
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7972
Solvent DMSO-d6
Source Vendor ID: NMR/9215942; Lab Info: LP; Lab Number: LP-0607021
Temperature 39.85 °C