For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,1,3-benzoxadiazole, 4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-
SpectraBase Compound ID H8gmVug9Qfw
InChI InChI=1S/C17H14F3N5O5S/c18-17(19,20)11-4-5-13(14(10-11)25(26)27)23-6-8-24(9-7-23)31(28,29)15-3-1-2-12-16(15)22-30-21-12/h1-5,10H,6-9H2
InChIKey IXIFMXOPGOZVCK-UHFFFAOYSA-N
Mol Weight 457.38 g/mol
Molecular Formula C17H14F3N5O5S
Exact Mass 457.066774 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IQm2Nr1UCy8
Name 2,1,3-benzoxadiazole, 4-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-
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/C17H14F3N5O5S/c18-17(19,20)11-4-5-13(14(10-11)25(26)27)23-6-8-24(9-7-23)31(28,29)15-3-1-2-12-16(15)22-30-21-12/h1-5,10H,6-9H2
InChIKey IXIFMXOPGOZVCK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_611
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: NMR/11228261