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cyclohexanecarboxamide, 1-[[(2-benzoxazolylthio)acetyl](4-methoxyphenyl)amino]-N-(2,6-dimethylphenyl)-
SpectraBase Compound ID 7thgAqWanae
InChI InChI=1S/C31H33N3O4S/c1-21-10-9-11-22(2)28(21)33-29(36)31(18-7-4-8-19-31)34(23-14-16-24(37-3)17-15-23)27(35)20-39-30-32-25-12-5-6-13-26(25)38-30/h5-6,9-17H,4,7-8,18-20H2,1-3H3,(H,33,36)
InChIKey BOVBSFCWWOSZMI-UHFFFAOYSA-N
Mol Weight 543.7 g/mol
Molecular Formula C31H33N3O4S
Exact Mass 543.219178 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LMaHuBWv3vF
Name cyclohexanecarboxamide, 1-[[(2-benzoxazolylthio)acetyl](4-methoxyphenyl)amino]-N-(2,6-dimethylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.219177725 u
Formula C31H33N3O4S
InChI InChI=1S/C31H33N3O4S/c1-21-10-9-11-22(2)28(21)33-29(36)31(18-7-4-8-19-31)34(23-14-16-24(37-3)17-15-23)27(35)20-39-30-32-25-12-5-6-13-26(25)38-30/h5-6,9-17H,4,7-8,18-20H2,1-3H3,(H,33,36)
InChIKey BOVBSFCWWOSZMI-UHFFFAOYSA-N
Molecular Weight 543.682 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8790
Solvent DMSO-d6
Source Vendor ID: NMR/10230805; Lab Info: NP; Lab Number: NP-TP00046
Temperature 29.85 °C