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(2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile

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(2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile
SpectraBase Compound ID BG1uO9rkEHZ
InChI InChI=1S/C21H17N3O4S/c1-12-4-5-16(13(2)6-12)17-11-29-21(23-17)15(10-22)7-14-8-18(24(26)27)20(25)19(9-14)28-3/h4-9,11,25H,1-3H3/b15-7+
InChIKey CJCHRIVQWOTBEO-VIZOYTHASA-N
Mol Weight 407.44 g/mol
Molecular Formula C21H17N3O4S
Exact Mass 407.093977 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3b87mmNr1AN
Name (2E)-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-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/C21H17N3O4S/c1-12-4-5-16(13(2)6-12)17-11-29-21(23-17)15(10-22)7-14-8-18(24(26)27)20(25)19(9-14)28-3/h4-9,11,25H,1-3H3/b15-7+
InChIKey CJCHRIVQWOTBEO-VIZOYTHASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1973
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: C99546; Labnumber: ULGA8-0764; SBI_ID: SBI-001975
Synonyms 2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile
Temperature 318 °C