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2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(1-Amino-ethylidene)-4,4-dicyano-3-trifluoromethyl-but-3-enoic acid methyl ester
SpectraBase Compound ID EWTpDcfSLcu
InChI InChI=1S/C10H8F3N3O2/c1-5(16)7(9(17)18-2)8(10(11,12)13)6(3-14)4-15/h16H2,1-2H3/b7-5-
InChIKey UAJIRAHOLQAKOV-ALCCZGGFSA-N
Mol Weight 259.19 g/mol
Molecular Formula C10H8F3N3O2
Exact Mass 259.056861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5RV7g1btZ7
Name methyl (2Z)-3-amino-2-[2,2-dicyano-1-(trifluoromethyl)vinyl]-2-butenoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C10H8F3N3O2/c1-5(16)7(9(17)18-2)8(10(11,12)13)6(3-14)4-15/h16H2,1-2H3/b7-5-
InChIKey UAJIRAHOLQAKOV-ALCCZGGFSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1309
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: C95971; Labnumber: AKSIN-0070; SBI_ID: SBI-001311
Synonyms methyl 3-amino-2-[2,2-dicyano-1-(trifluoromethyl)vinyl]-2-butenoate
Temperature 315 °C