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7H-thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, 5-amino-2,3-dihydro-3-oxo-7-[4-(phenylmethoxy)phenyl]-2-[[4-(phenylmethoxy)phenyl]methylene]-, (2E)-
SpectraBase Compound ID IEhnn7OFsJ2
InChI InChI=1S/C36H26N4O3S/c37-20-30-33(27-13-17-29(18-14-27)43-23-26-9-5-2-6-10-26)31(21-38)36-40(34(30)39)35(41)32(44-36)19-24-11-15-28(16-12-24)42-22-25-7-3-1-4-8-25/h1-19,33H,22-23,39H2/b32-19+
InChIKey FDEIFTLCDWDBER-BIZUNTBRSA-N
Mol Weight 594.7 g/mol
Molecular Formula C36H26N4O3S
Exact Mass 594.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6NJumcSF3n
Name 7H-thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, 5-amino-2,3-dihydro-3-oxo-7-[4-(phenylmethoxy)phenyl]-2-[[4-(phenylmethoxy)phenyl]methylene]-, (2E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 594.172561884 u
Formula C36H26N4O3S
InChI InChI=1S/C36H26N4O3S/c37-20-30-33(27-13-17-29(18-14-27)43-23-26-9-5-2-6-10-26)31(21-38)36-40(34(30)39)35(41)32(44-36)19-24-11-15-28(16-12-24)42-22-25-7-3-1-4-8-25/h1-19,33H,22-23,39H2/b32-19+
InChIKey FDEIFTLCDWDBER-BIZUNTBRSA-N
Molecular Weight 594.689 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1225
Solvent DMSO-d6
Source Vendor ID: ZI/7130416; Lab Info: XXX713; Lab Number: AK-777/10811011