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benzenamine, N-[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)thiazolylidene]-3-(trifluoromethyl)-, monohydrobromide

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benzenamine, N-[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)thiazolylidene]-3-(trifluoromethyl)-, monohydrobromide
SpectraBase Compound ID 60s0KWEgPuS
InChI InChI=1S/C24H16F4N2O2S.BrH/c25-18-7-5-16(6-8-18)20-13-33-23(29-19-3-1-2-17(11-19)24(26,27)28)30(20)12-15-4-9-21-22(10-15)32-14-31-21;/h1-11,13H,12,14H2;1H/b29-23-;
InChIKey FPUBUAFOBSBALL-MBANDDHJSA-N
Mol Weight 553.37 g/mol
Molecular Formula C24H17BrF4N2O2S
Exact Mass 552.013025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1E8UkpOpJHN
Name benzenamine, N-[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)thiazolylidene]-3-(trifluoromethyl)-, monohydrobromide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.013024619 u
Formula C24H17BrF4N2O2S
InChI InChI=1S/C24H16F4N2O2S.BrH/c25-18-7-5-16(6-8-18)20-13-33-23(29-19-3-1-2-17(11-19)24(26,27)28)30(20)12-15-4-9-21-22(10-15)32-14-31-21;/h1-11,13H,12,14H2;1H/b29-23-;
InChIKey FPUBUAFOBSBALL-MBANDDHJSA-N
Molecular Weight 553.370 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_247
Solvent DMSO-d6
Source Vendor ID: ZI/7105773; Lab Info: PE; Lab Number: PE-0003680
Temperature 23.85 °C