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4-(2-{2-[(2,2,3,3,3-pentafluoropropanoyl)amino]-1H-benzimidazol-1-yl}ethyl)morpholin-4-ium
SpectraBase Compound ID 3TpQ8QIEF7m
InChI InChI=1S/C16H17F5N4O2/c17-15(18,16(19,20)21)13(26)23-14-22-11-3-1-2-4-12(11)25(14)6-5-24-7-9-27-10-8-24/h1-4H,5-10H2,(H,22,23,26)/p+1
InChIKey WDEHGKMUCPMGKD-UHFFFAOYSA-O
Mol Weight 393.34 g/mol
Molecular Formula C16H18F5N4O2
Exact Mass 393.134992 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4eP3iRW9bsO
Name 4-(2-{2-[(2,2,3,3,3-pentafluoropropanoyl)amino]-1H-benzimidazol-1-yl}ethyl)morpholin-4-ium
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/C16H17F5N4O2/c17-15(18,16(19,20)21)13(26)23-14-22-11-3-1-2-4-12(11)25(14)6-5-24-7-9-27-10-8-24/h1-4H,5-10H2,(H,22,23,26)/p+1
InChIKey WDEHGKMUCPMGKD-UHFFFAOYSA-O
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17016
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/9023702; UBI_ID: UBI-017019
Temperature 318 °C