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2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]-N,N-diethylethanaminium chloride
SpectraBase Compound ID Fi3vHlnKZvQ
InChI InChI=1S/C13H19N3O2S.ClH/c1-3-16(4-2)10-9-14-13-11-7-5-6-8-12(11)19(17,18)15-13;/h5-8H,3-4,9-10H2,1-2H3,(H,14,15);1H
InChIKey YSODVBVSOOZMGQ-UHFFFAOYSA-N
Mol Weight 317.83 g/mol
Molecular Formula C13H20ClN3O2S
Exact Mass 317.096476 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GfB4lrc1In6
Name ethanaminium, 2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]-N,N-diethyl-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.096475768 u
Formula C13H20ClN3O2S
InChI InChI=1S/C13H19N3O2S.ClH/c1-3-16(4-2)10-9-14-13-11-7-5-6-8-12(11)19(17,18)15-13;/h5-8H,3-4,9-10H2,1-2H3,(H,14,15);1H
InChIKey YSODVBVSOOZMGQ-UHFFFAOYSA-N
Molecular Weight 317.835 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3509
Solvent DMSO-d6
Source Vendor ID: NMR/9235152; Lab Info: LP; Lab Number: LP-0190628
Temperature 29.85 °C