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3-[(1E)-2-cyano-3-oxo-3-(4-toluidino)-1-propenyl]phenyl 4-methylbenzoate

View entire compound with spectra: 2 NMR

3-[(1E)-2-cyano-3-oxo-3-(4-toluidino)-1-propenyl]phenyl 4-methylbenzoate
SpectraBase Compound ID ATssu8Bra1b
InChI InChI=1S/C25H20N2O3/c1-17-6-10-20(11-7-17)25(29)30-23-5-3-4-19(15-23)14-21(16-26)24(28)27-22-12-8-18(2)9-13-22/h3-15H,1-2H3,(H,27,28)/b21-14+
InChIKey UBCMTMQQYPSFSW-KGENOOAVSA-N
Mol Weight 396.45 g/mol
Molecular Formula C25H20N2O3
Exact Mass 396.147393 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EfEwNUXNwss
Name 3-[(1E)-2-cyano-3-oxo-3-(4-toluidino)-1-propenyl]phenyl 4-methylbenzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H20N2O3/c1-17-6-10-20(11-7-17)25(29)30-23-5-3-4-19(15-23)14-21(16-26)24(28)27-22-12-8-18(2)9-13-22/h3-15H,1-2H3,(H,27,28)/b21-14+
InChIKey UBCMTMQQYPSFSW-KGENOOAVSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7044
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1002517; UBI_ID: UBI-007047
Synonyms 3-[2-cyano-3-oxo-3-(4-toluidino)-1-propenyl]phenyl 4-methylbenzoate
Temperature 315 °C