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 |