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

*Links on SpectraBase are not permalinks.
beta-alanine, N-[(3,4-dihydro-3-oxo-2H-1,4-benzothiazin-7-yl)sulfonyl]-
SpectraBase Compound ID 2fFYpKszn7j
InChI InChI=1S/C11H12N2O5S2/c14-10-6-19-9-5-7(1-2-8(9)13-10)20(17,18)12-4-3-11(15)16/h1-2,5,12H,3-4,6H2,(H,13,14)(H,15,16)
InChIKey GNCMWYHGMJKMED-UHFFFAOYSA-N
Mol Weight 316.35 g/mol
Molecular Formula C11H12N2O5S2
Exact Mass 316.018764 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 2LSuCUVyrby
Name beta-alanine, N-[(3,4-dihydro-3-oxo-2H-1,4-benzothiazin-7-yl)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 316.018763837 u
Formula C11H12N2O5S2
InChI InChI=1S/C11H12N2O5S2/c14-10-6-19-9-5-7(1-2-8(9)13-10)20(17,18)12-4-3-11(15)16/h1-2,5,12H,3-4,6H2,(H,13,14)(H,15,16)
InChIKey GNCMWYHGMJKMED-UHFFFAOYSA-N
Molecular Weight 316.346 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_9327
Solvent DMSO-d6
Source Vendor ID: NMR/14228176