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(2E)-3-(2-bromo-4-methylanilino)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile
SpectraBase Compound ID 6oFYYxXGk2v
InChI InChI=1S/C21H18BrN3S/c1-13-4-6-17(15(3)8-13)20-12-26-21(25-20)16(10-23)11-24-19-7-5-14(2)9-18(19)22/h4-9,11-12,24H,1-3H3/b16-11+
InChIKey HRVQROLONALTFW-LFIBNONCSA-N
Mol Weight 424.36 g/mol
Molecular Formula C21H18BrN3S
Exact Mass 423.040482 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1DONGDHEPDO
Name (2E)-3-(2-bromo-4-methylanilino)-2-[4-(2,4-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/C21H18BrN3S/c1-13-4-6-17(15(3)8-13)20-12-26-21(25-20)16(10-23)11-24-19-7-5-14(2)9-18(19)22/h4-9,11-12,24H,1-3H3/b16-11+
InChIKey HRVQROLONALTFW-LFIBNONCSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_4751
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: 121534; Labnumber: ULGAP-07-3998; VK_ID: VK-004752
Synonyms 3-(2-bromo-4-methylanilino)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile
Temperature 315 °C