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azocine, octahydro-1-[(1E)-3,4,4-trichloro-1-[(4-methylphenyl)thio]-2-nitro-1,3-butadienyl]-
SpectraBase Compound ID DTv5vAvMvnU
InChI InChI=1S/C18H21Cl3N2O2S/c1-13-7-9-14(10-8-13)26-18(16(23(24)25)15(19)17(20)21)22-11-5-3-2-4-6-12-22/h7-10H,2-6,11-12H2,1H3/b18-16+
InChIKey ILYORVQLYPDECD-FBMGVBCBSA-N
Mol Weight 435.8 g/mol
Molecular Formula C18H21Cl3N2O2S
Exact Mass 434.038932 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kvbhf8oyJ4c
Name azocine, octahydro-1-[(1E)-3,4,4-trichloro-1-[(4-methylphenyl)thio]-2-nitro-1,3-butadienyl]-
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/C18H21Cl3N2O2S/c1-13-7-9-14(10-8-13)26-18(16(23(24)25)15(19)17(20)21)22-11-5-3-2-4-6-12-22/h7-10H,2-6,11-12H2,1H3/b18-16+
InChIKey ILYORVQLYPDECD-FBMGVBCBSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3182
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: NMR/11278849