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6-tert-butyl-2-[({[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID FvD4ImKsnYP
InChI InChI=1S/C21H27N5O2S2/c1-21(2,3)13-6-7-14-15(9-13)30-19(17(14)18(22)28)25-20(29)24-16(27)8-5-12-10-23-26(4)11-12/h5,8,10-11,13H,6-7,9H2,1-4H3,(H2,22,28)(H2,24,25,27,29)/b8-5+
InChIKey ZLQFSWJVXRVEBA-VMPITWQZSA-N
Mol Weight 445.6 g/mol
Molecular Formula C21H27N5O2S2
Exact Mass 445.160617 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 36Xo93r1xn7
Name 6-tert-butyl-2-[({[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C21H27N5O2S2/c1-21(2,3)13-6-7-14-15(9-13)30-19(17(14)18(22)28)25-20(29)24-16(27)8-5-12-10-23-26(4)11-12/h5,8,10-11,13H,6-7,9H2,1-4H3,(H2,22,28)(H2,24,25,27,29)/b8-5+
InChIKey ZLQFSWJVXRVEBA-VMPITWQZSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31774
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: 1843336; SBI_ID: SBI-031778
Synonyms 6-tert-butyl-2-[({[3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Temperature 315 °C