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N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-N'-(4-nitrophenyl)thiourea
SpectraBase Compound ID BujKAg383IT
InChI InChI=1S/C17H13F6N3O4S/c18-16(19,20)8-29-13-5-11(6-14(7-13)30-9-17(21,22)23)25-15(31)24-10-1-3-12(4-2-10)26(27)28/h1-7H,8-9H2,(H2,24,25,31)
InChIKey DFQPKELYRBDWRQ-UHFFFAOYSA-N
Mol Weight 469.36 g/mol
Molecular Formula C17H13F6N3O4S
Exact Mass 469.053096 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4i82ms17mN9
Name N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-N'-(4-nitrophenyl)thiourea
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/C17H13F6N3O4S/c18-16(19,20)8-29-13-5-11(6-14(7-13)30-9-17(21,22)23)25-15(31)24-10-1-3-12(4-2-10)26(27)28/h1-7H,8-9H2,(H2,24,25,31)
InChIKey DFQPKELYRBDWRQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29717
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: 1091364; SBI_ID: SBI-029721
Temperature 308 °C