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(1E)-N'-[(E,1Z)-1-(benzylsulfanyl)-2-cyano-3,3,3-trifluoro-1-propenyl]ethanimidamide
SpectraBase Compound ID I5m61lctNKU
InChI InChI=1S/C13H12F3N3S/c1-9(18)19-12(11(7-17)13(14,15)16)20-8-10-5-3-2-4-6-10/h2-6H,8H2,1H3,(H2,18,19)/b12-11-
InChIKey BTVUYJYNKPMMDB-QXMHVHEDSA-N
Mol Weight 299.32 g/mol
Molecular Formula C13H12F3N3S
Exact Mass 299.070403 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1XzXxGEGxRB
Name (1E)-N'-[(E,1Z)-1-(benzylsulfanyl)-2-cyano-3,3,3-trifluoro-1-propenyl]ethanimidamide
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/C13H12F3N3S/c1-9(18)19-12(11(7-17)13(14,15)16)20-8-10-5-3-2-4-6-10/h2-6H,8H2,1H3,(H2,18,19)/b12-11-
InChIKey BTVUYJYNKPMMDB-QXMHVHEDSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1321
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: C95984; Labnumber: AKSIN-0083; SBI_ID: SBI-001323
Synonyms N'-[1-(benzylsulfanyl)-2-cyano-3,3,3-trifluoro-1-propenyl]ethanimidamide
Temperature 315 °C