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1,3-dithiolium, 5-[(2-carboxyethyl)thio]-4-methyl-2-(1-piperidinyl)-,bromide
SpectraBase Compound ID 4LRfTCPa8oN
InChI InChI=1S/C12H17NO2S3.BrH/c1-9-11(16-8-5-10(14)15)18-12(17-9)13-6-3-2-4-7-13;/h2-8H2,1H3;1H
InChIKey QJLRVCQBCTVEPF-UHFFFAOYSA-N
Mol Weight 384.37 g/mol
Molecular Formula C12H18BrNO2S3
Exact Mass 382.968305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID UsgdcQy337
Name 1,3-dithiolium, 5-[(2-carboxyethyl)thio]-4-methyl-2-(1-piperidinyl)-,bromide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.968305344 u
Formula C12H18BrNO2S3
InChI InChI=1S/C12H17NO2S3.BrH/c1-9-11(16-8-5-10(14)15)18-12(17-9)13-6-3-2-4-7-13;/h2-8H2,1H3;1H
InChIKey QJLRVCQBCTVEPF-UHFFFAOYSA-N
Molecular Weight 384.365 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16229
Solvent DMSO-d6
Source Vendor ID: JOC97/11127