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(2E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenamide

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(2E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenamide
SpectraBase Compound ID BmTSzf0EUup
InChI InChI=1S/C16H16N4OS/c1-20-10-11(9-18-20)6-7-15(21)19-16-13(8-17)12-4-2-3-5-14(12)22-16/h6-7,9-10H,2-5H2,1H3,(H,19,21)/b7-6+
InChIKey XKZVNTHIIPLAEP-VOTSOKGWSA-N
Mol Weight 312.39 g/mol
Molecular Formula C16H16N4OS
Exact Mass 312.104482 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 31gSpViOj25
Name (2E)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenamide
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/C16H16N4OS/c1-20-10-11(9-18-20)6-7-15(21)19-16-13(8-17)12-4-2-3-5-14(12)22-16/h6-7,9-10H,2-5H2,1H3,(H,19,21)/b7-6+
InChIKey XKZVNTHIIPLAEP-VOTSOKGWSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2378
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: 9312687; UBI_ID: UBI-002379
Synonyms N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenamide
Temperature 313 °C