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2-chloro-5-{[(2E)-3-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,3,3-trichloro-1-nitro-2-propenylidene)imidazolidinyl]methyl}pyridine
SpectraBase Compound ID 60KfLk6bPsp
InChI InChI=1S/C16H12Cl5N5O2S/c17-11-2-1-9(5-22-11)7-24-3-4-25(8-10-6-23-16(21)29-10)15(24)13(26(27)28)12(18)14(19)20/h1-2,5-6H,3-4,7-8H2/b15-13+
InChIKey UHHAWXFYFLYAGQ-FYWRMAATSA-N
Mol Weight 515.6 g/mol
Molecular Formula C16H12Cl5N5O2S
Exact Mass 512.915434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6JOiaa76pQf
Name 2-chloro-5-{[(2E)-3-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2,3,3-trichloro-1-nitro-2-propenylidene)imidazolidinyl]methyl}pyridine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.915434318 u
Formula C16H12Cl5N5O2S
InChI InChI=1S/C16H12Cl5N5O2S/c17-11-2-1-9(5-22-11)7-24-3-4-25(8-10-6-23-16(21)29-10)15(24)13(26(27)28)12(18)14(19)20/h1-2,5-6H,3-4,7-8H2/b15-13+
InChIKey UHHAWXFYFLYAGQ-FYWRMAATSA-N
Molecular Weight 515.630 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4186
Solvent DMSO-d6
Source Vendor ID: NMR/12308845