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3(2H)-thiophenone, dihydro-2,4-bis[[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]methylene]-, (2Z,4Z)-
SpectraBase Compound ID Il4gRb9pdXA
InChI InChI=1S/C28H26N4O3S/c1-34-25-7-5-20(13-22(25)17-31-11-3-9-29-31)15-24-19-36-27(28(24)33)16-21-6-8-26(35-2)23(14-21)18-32-12-4-10-30-32/h3-16H,17-19H2,1-2H3/b24-15+,27-16-
InChIKey YTWQEDINELJGPZ-QWQIADELSA-N
Mol Weight 498.6 g/mol
Molecular Formula C28H26N4O3S
Exact Mass 498.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JyMJbvopsP6
Name 3(2H)-thiophenone, dihydro-2,4-bis[[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]methylene]-, (2Z,4Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.172561884 u
Formula C28H26N4O3S
InChI InChI=1S/C28H26N4O3S/c1-34-25-7-5-20(13-22(25)17-31-11-3-9-29-31)15-24-19-36-27(28(24)33)16-21-6-8-26(35-2)23(14-21)18-32-12-4-10-30-32/h3-16H,17-19H2,1-2H3/b24-15+,27-16-
InChIKey YTWQEDINELJGPZ-QWQIADELSA-N
Molecular Weight 498.601 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_602
Solvent DMSO-d6
Source Vendor ID: NMR/13239129