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benzoic acid, 4-[[[[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]amino]carbonothioyl]amino]-, ethyl ester

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benzoic acid, 4-[[[[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]amino]carbonothioyl]amino]-, ethyl ester
SpectraBase Compound ID AhGe8TvX0Bv
InChI InChI=1S/C19H19F3N4O4S/c1-2-30-17(27)12-3-6-14(7-4-12)25-18(31)24-10-9-23-15-8-5-13(19(20,21)22)11-16(15)26(28)29/h3-8,11,23H,2,9-10H2,1H3,(H2,24,25,31)
InChIKey OLHFBTBNTAADGQ-UHFFFAOYSA-N
Mol Weight 456.44 g/mol
Molecular Formula C19H19F3N4O4S
Exact Mass 456.107911 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6NyoDDHpbgm
Name ethyl 4-{[({2-[2-nitro-4-(trifluoromethyl)anilino]ethyl}amino)carbothioyl]amino}benzoate
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/C19H19F3N4O4S/c1-2-30-17(27)12-3-6-14(7-4-12)25-18(31)24-10-9-23-15-8-5-13(19(20,21)22)11-16(15)26(28)29/h3-8,11,23H,2,9-10H2,1H3,(H2,24,25,31)
InChIKey OLHFBTBNTAADGQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17781
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: D29917; Labnumber: MPOL-15393; SBI_ID: SBI-017784
Temperature 318 °C