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

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(2E)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propenamide
SpectraBase Compound ID Ki7qziI6r0v
InChI InChI=1S/C21H26N4OS/c1-13-14(12-23-25(13)5)6-9-19(26)24-20-17(11-22)16-8-7-15(21(2,3)4)10-18(16)27-20/h6,9,12,15H,7-8,10H2,1-5H3,(H,24,26)/b9-6+
InChIKey DHMORRVQWSRTGI-RMKNXTFCSA-N
Mol Weight 382.53 g/mol
Molecular Formula C21H26N4OS
Exact Mass 382.182733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Aip3NzjZv4
Name (2E)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(1,5-dimethyl-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/C21H26N4OS/c1-13-14(12-23-25(13)5)6-9-19(26)24-20-17(11-22)16-8-7-15(21(2,3)4)10-18(16)27-20/h6,9,12,15H,7-8,10H2,1-5H3,(H,24,26)/b9-6+
InChIKey DHMORRVQWSRTGI-RMKNXTFCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3158
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: 9315252; UBI_ID: UBI-003159
Synonyms N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propenamide
Temperature 318 °C