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methyl 6-tert-butyl-2-{[(2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 6-tert-butyl-2-{[(2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID DljJlKrBUy9
InChI InChI=1S/C22H29N3O3S/c1-13-14(12-23-25(13)5)7-10-18(26)24-20-19(21(27)28-6)16-9-8-15(22(2,3)4)11-17(16)29-20/h7,10,12,15H,8-9,11H2,1-6H3,(H,24,26)/b10-7+
InChIKey CISPYPCPBUQYKU-JXMROGBWSA-N
Mol Weight 415.55 g/mol
Molecular Formula C22H29N3O3S
Exact Mass 415.192963 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2q91ZvkE5ac
Name methyl 6-tert-butyl-2-{[(2E)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C22H29N3O3S/c1-13-14(12-23-25(13)5)7-10-18(26)24-20-19(21(27)28-6)16-9-8-15(22(2,3)4)11-17(16)29-20/h7,10,12,15H,8-9,11H2,1-6H3,(H,24,26)/b10-7+
InChIKey CISPYPCPBUQYKU-JXMROGBWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3119
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: 9314705; UBI_ID: UBI-003120
Synonyms methyl 6-tert-butyl-2-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propenoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C