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4-methylphenyl (1E)-3,4,4-trichloro-1-(3,4-dihydro-2(1H)-isoquinolinyl)-2-nitro-1,3-butadienyl sulfide

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4-methylphenyl (1E)-3,4,4-trichloro-1-(3,4-dihydro-2(1H)-isoquinolinyl)-2-nitro-1,3-butadienyl sulfide
SpectraBase Compound ID 410raiWJVLA
InChI InChI=1S/C20H17Cl3N2O2S/c1-13-6-8-16(9-7-13)28-20(18(25(26)27)17(21)19(22)23)24-11-10-14-4-2-3-5-15(14)12-24/h2-9H,10-12H2,1H3/b20-18+
InChIKey MWUNHYWVLHJBRH-CZIZESTLSA-N
Mol Weight 455.79 g/mol
Molecular Formula C20H17Cl3N2O2S
Exact Mass 454.007632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ClGFJf5gIqj
Name 4-methylphenyl (1E)-3,4,4-trichloro-1-(3,4-dihydro-2(1H)-isoquinolinyl)-2-nitro-1,3-butadienyl sulfide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.007632067 u
Formula C20H17Cl3N2O2S
InChI InChI=1S/C20H17Cl3N2O2S/c1-13-6-8-16(9-7-13)28-20(18(25(26)27)17(21)19(22)23)24-11-10-14-4-2-3-5-15(14)12-24/h2-9H,10-12H2,1H3/b20-18+
InChIKey MWUNHYWVLHJBRH-CZIZESTLSA-N
Molecular Weight 455.787 g/mol
NMR Offset 17.989
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4200
Solvent CDCl3
Source Vendor ID: NMR/12308860