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(E)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)(2-sulfanylidenepropyl)amine
SpectraBase Compound ID Ljg6VWVdhuT
InChI InChI=1S/C16H13F3N4O4S/c1-26-14-6-9(8-21-22-15(20)28)2-4-13(14)27-12-5-3-10(16(17,18)19)7-11(12)23(24)25/h2-8H,1H3,(H3,20,22,28)/b21-8+
InChIKey KNESRXNQXJICEB-ODCIPOBUSA-N
Mol Weight 414.36 g/mol
Molecular Formula C16H13F3N4O4S
Exact Mass 414.060961 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3weyfopwW5B
Name (E)-({3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)(2-sulfanylidenepropyl)amine
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.060960574 u
Formula C16H13F3N4O4S
InChI InChI=1S/C16H13F3N4O4S/c1-26-14-6-9(8-21-22-15(20)28)2-4-13(14)27-12-5-3-10(16(17,18)19)7-11(12)23(24)25/h2-8H,1H3,(H3,20,22,28)/b21-8+
InChIKey KNESRXNQXJICEB-ODCIPOBUSA-N
Molecular Weight 414.359 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2204
Solvent DMSO-d6
Source Vendor ID: ZI/7075112; Lab Info: SAD; Lab Number: SAD-e800009
Temperature 29.85 °C