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acetic acid, [[3-cyano-4-(2-furanyl)-1,4-dihydro-6-methyl-5-[[(2-methylphenyl)amino]carbonyl]-2-pyridinyl]thio]-, phenylmethyl ester

View entire compound with spectra: 1 NMR

acetic acid, [[3-cyano-4-(2-furanyl)-1,4-dihydro-6-methyl-5-[[(2-methylphenyl)amino]carbonyl]-2-pyridinyl]thio]-, phenylmethyl ester
SpectraBase Compound ID 8Yrzd2fqQkj
InChI InChI=1S/C28H25N3O4S/c1-18-9-6-7-12-22(18)31-27(33)25-19(2)30-28(21(15-29)26(25)23-13-8-14-34-23)36-17-24(32)35-16-20-10-4-3-5-11-20/h3-14,26,30H,16-17H2,1-2H3,(H,31,33)
InChIKey DTAHPVZBWLUDTD-UHFFFAOYSA-N
Mol Weight 499.59 g/mol
Molecular Formula C28H25N3O4S
Exact Mass 499.156577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7EZlAJozzNV
Name acetic acid, [[3-cyano-4-(2-furanyl)-1,4-dihydro-6-methyl-5-[[(2-methylphenyl)amino]carbonyl]-2-pyridinyl]thio]-, phenylmethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.156577467 u
Formula C28H25N3O4S
InChI InChI=1S/C28H25N3O4S/c1-18-9-6-7-12-22(18)31-27(33)25-19(2)30-28(21(15-29)26(25)23-13-8-14-34-23)36-17-24(32)35-16-20-10-4-3-5-11-20/h3-14,26,30H,16-17H2,1-2H3,(H,31,33)
InChIKey DTAHPVZBWLUDTD-UHFFFAOYSA-N
Molecular Weight 499.585 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10575
Solvent DMSO-d6
Source Vendor ID: NMR/10251883; Lab Info: KR; Lab Number: KR-KV00284