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2-({2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-3-pyrrolidinyl}sulfanyl)ethanaminium chloride
SpectraBase Compound ID HfsBd8VqxKj
InChI InChI=1S/C13H13F3N2O3S.ClH/c14-13(15,16)21-9-3-1-8(2-4-9)18-11(19)7-10(12(18)20)22-6-5-17;/h1-4,10H,5-7,17H2;1H
InChIKey JAOJEKYPGIDQEY-UHFFFAOYSA-N
Mol Weight 370.77 g/mol
Molecular Formula C13H14ClF3N2O3S
Exact Mass 370.036576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E3Vk5m8hMCR
Name 2-({2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-3-pyrrolidinyl}sulfanyl)ethanaminium chloride
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/C13H13F3N2O3S.ClH/c14-13(15,16)21-9-3-1-8(2-4-9)18-11(19)7-10(12(18)20)22-6-5-17;/h1-4,10H,5-7,17H2;1H
InChIKey JAOJEKYPGIDQEY-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1775
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: ZI/9041240; Labnumber: PE-0000047
Temperature 303 °C