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

*Links on SpectraBase are not permalinks.
1,2-benzisothiazolin-3-one, 1,1-dioxide, compound with tribenzylamine(1:1)
SpectraBase Compound ID 8P8okNst86j
InChI InChI=1S/C21H21N.C7H5NO3S/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-15H,16-18H2;1-4H,(H,8,9)
InChIKey RVNHHEOWEXRNKZ-UHFFFAOYSA-N
Mol Weight 470.59 g/mol
Molecular Formula C28H26N2O3S
Exact Mass 470.166414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 6VTgaa9SAfo
Name 1,2-BENZISOTHIAZOLIN-3-ONE, 1,1-DIOXIDE, COMPOUND WITHTRIBENZYLAMINE (1:1)
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NO3S C21H21N
InChI InChI=1S/C21H21N.C7H5NO3S/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-15H,16-18H2;1-4H,(H,8,9)
InChIKey RVNHHEOWEXRNKZ-UHFFFAOYSA-N
Molecular Weight 470.60
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300