For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(4-Methanesulfonyl-piperazine-1-sulfonyl)-benzoic acid
SpectraBase Compound ID KwqmkzldHo3
InChI InChI=1S/C12H16N2O6S2/c1-21(17,18)13-5-7-14(8-6-13)22(19,20)11-4-2-3-10(9-11)12(15)16/h2-4,9H,5-8H2,1H3,(H,15,16)
InChIKey HWMATKYIEQVLMP-UHFFFAOYSA-N
Mol Weight 348.39 g/mol
Molecular Formula C12H16N2O6S2
Exact Mass 348.044979 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7dLCruCl9qJ
Name benzoic acid, 3-[[4-(methylsulfonyl)-1-piperazinyl]sulfonyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.044978585 u
Formula C12H16N2O6S2
InChI InChI=1S/C12H16N2O6S2/c1-21(17,18)13-5-7-14(8-6-13)22(19,20)11-4-2-3-10(9-11)12(15)16/h2-4,9H,5-8H2,1H3,(H,15,16)
InChIKey HWMATKYIEQVLMP-UHFFFAOYSA-N
Molecular Weight 348.388 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11154
Solvent DMSO-d6
Source Vendor ID: NMR/10251537; Lab Info: LP; Lab Number: LP-2100727