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acetic acid, [[3-cyano-4-(2-furanyl)-1,4-dihydro-6-methyl-5-[[(2-methylphenyl)amino]carbonyl]-2-pyridinyl]thio]-, methyl 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]-, methyl ester
SpectraBase Compound ID IlIXf4aFrc9
InChI InChI=1S/C22H21N3O4S/c1-13-7-4-5-8-16(13)25-21(27)19-14(2)24-22(30-12-18(26)28-3)15(11-23)20(19)17-9-6-10-29-17/h4-10,20,24H,12H2,1-3H3,(H,25,27)
InChIKey UCSPXGYEJIXIMT-UHFFFAOYSA-N
Mol Weight 423.49 g/mol
Molecular Formula C22H21N3O4S
Exact Mass 423.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LB9PWJMJmjI
Name acetic acid, [[3-cyano-4-(2-furanyl)-1,4-dihydro-6-methyl-5-[[(2-methylphenyl)amino]carbonyl]-2-pyridinyl]thio]-, methyl 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 423.125277338 u
Formula C22H21N3O4S
InChI InChI=1S/C22H21N3O4S/c1-13-7-4-5-8-16(13)25-21(27)19-14(2)24-22(30-12-18(26)28-3)15(11-23)20(19)17-9-6-10-29-17/h4-10,20,24H,12H2,1-3H3,(H,25,27)
InChIKey UCSPXGYEJIXIMT-UHFFFAOYSA-N
Molecular Weight 423.487 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10577
Solvent DMSO-d6
Source Vendor ID: NMR/10251886; Lab Info: KR; Lab Number: KR-KV00287