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(2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile
SpectraBase Compound ID 8eXq2ZrHaTH
InChI InChI=1S/C23H19N3O3S/c1-13-4-5-16(6-14(13)2)20-11-30-23(26-20)17(9-24)10-25-19-8-22-21(28-12-29-22)7-18(19)15(3)27/h4-8,10-11,25H,12H2,1-3H3/b17-10+
InChIKey ZSKHRFDQLSRITH-LICLKQGHSA-N
Mol Weight 417.48 g/mol
Molecular Formula C23H19N3O3S
Exact Mass 417.114713 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LFSyj9FF6Si
Name (2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile
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/C23H19N3O3S/c1-13-4-5-16(6-14(13)2)20-11-30-23(26-20)17(9-24)10-25-19-8-22-21(28-12-29-22)7-18(19)15(3)27/h4-8,10-11,25H,12H2,1-3H3/b17-10+
InChIKey ZSKHRFDQLSRITH-LICLKQGHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4486
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: 120499; Labnumber: ULGAP-08-5374; VK_ID: VK-004487
Synonyms 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile
Temperature 318 °C