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3-({3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SpectraBase Compound ID CKyiBZztouc
InChI InChI=1S/C20H16Cl2F6N2O2S/c21-13-3-1-11(19(23,24)25)9-15(13)29-17(31)5-7-33-8-6-18(32)30-16-10-12(20(26,27)28)2-4-14(16)22/h1-4,9-10H,5-8H2,(H,29,31)(H,30,32)
InChIKey PYNJODSCLXGZCV-UHFFFAOYSA-N
Mol Weight 533.32 g/mol
Molecular Formula C20H16Cl2F6N2O2S
Exact Mass 532.021373 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3P33THCIya1
Name 3-({3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
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/C20H16Cl2F6N2O2S/c21-13-3-1-11(19(23,24)25)9-15(13)29-17(31)5-7-33-8-6-18(32)30-16-10-12(20(26,27)28)2-4-14(16)22/h1-4,9-10H,5-8H2,(H,29,31)(H,30,32)
InChIKey PYNJODSCLXGZCV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11313
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: UZI/9086879; UBI_ID: UBI-011316
Temperature 318 °C