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1,3-dithiolium, 5-[(carboxymethyl)thio]-4-methyl-2-(1-piperidinyl)-,iodide
SpectraBase Compound ID 4UADwN7Pkex
InChI InChI=1S/C11H15NO2S3.HI/c1-8-10(15-7-9(13)14)17-11(16-8)12-5-3-2-4-6-12;/h2-7H2,1H3;1H
InChIKey RLTSEQQGYGBNIE-UHFFFAOYSA-N
Mol Weight 417.34 g/mol
Molecular Formula C11H16INO2S3
Exact Mass 416.938787 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9UBOhUUykpB
Name 1,3-dithiolium, 5-[(carboxymethyl)thio]-4-methyl-2-(1-piperidinyl)-,iodide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.938787279 u
Formula C11H16INO2S3
InChI InChI=1S/C11H15NO2S3.HI/c1-8-10(15-7-9(13)14)17-11(16-8)12-5-3-2-4-6-12;/h2-7H2,1H3;1H
InChIKey RLTSEQQGYGBNIE-UHFFFAOYSA-N
Molecular Weight 417.338 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16228
Solvent DMSO-d6
Source Vendor ID: JOC97/11126