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methyl (3Z)-4-amino-3-cyano-2-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)-3-pentenoate

View entire compound with spectra: 1 NMR

methyl (3Z)-4-amino-3-cyano-2-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)-3-pentenoate
SpectraBase Compound ID 6ROQMSkfmaJ
InChI InChI=1S/C16H16F3N3O3/c1-9-4-6-11(7-5-9)13(23)22-15(14(24)25-3,16(17,18)19)12(8-20)10(2)21/h4-7H,21H2,1-3H3,(H,22,23)/b12-10+
InChIKey CUZHMFZNCDETNI-ZRDIBKRKSA-N
Mol Weight 355.32 g/mol
Molecular Formula C16H16F3N3O3
Exact Mass 355.114376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AwXESBy0ksZ
Name methyl (3Z)-4-amino-3-cyano-2-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)-3-pentenoate
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/C16H16F3N3O3/c1-9-4-6-11(7-5-9)13(23)22-15(14(24)25-3,16(17,18)19)12(8-20)10(2)21/h4-7H,21H2,1-3H3,(H,22,23)/b12-10+
InChIKey CUZHMFZNCDETNI-ZRDIBKRKSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_476
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: C27195; Labnumber: SOK-1134; SBI_ID: SBI-000478
Synonyms methyl 4-amino-3-cyano-2-[(4-methylbenzoyl)amino]-2-(trifluoromethyl)-3-pentenoate
Temperature 308 °C