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

*Links on SpectraBase are not permalinks.

N,N-bis{4-[(p-chlorophenyl)sulfonyl]-2-butynyl}-3-chloro-p-toluidine

View entire compound with spectra: 2 NMR, and 1 FTIR

N,N-bis{4-[(p-chlorophenyl)sulfonyl]-2-butynyl}-3-chloro-p-toluidine
SpectraBase Compound ID 4NK61z75vub
InChI InChI=1S/C27H22Cl3NO4S2/c1-21-6-11-24(20-27(21)30)31(16-2-4-18-36(32,33)25-12-7-22(28)8-13-25)17-3-5-19-37(34,35)26-14-9-23(29)10-15-26/h6-15,20H,16-19H2,1H3
InChIKey VVAZGXBXHTWBBM-UHFFFAOYSA-N
Mol Weight 594.96 g/mol
Molecular Formula C27H22Cl3NO4S2
Exact Mass 593.005584 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 66t8iAanmsi
Name N,N-BIS{4-[(p-CHLOROPHENYL)SULFONYL]-2-BUTYNYL}-3-CHLORO-p-TOLUIDINE
Source of Sample B. S. Thyagarajan, University of Texas at San Antonio, San Antonio, Texas
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22Cl3NO4S2
InChI InChI=1S/C27H22Cl3NO4S2/c1-21-6-11-24(20-27(21)30)31(16-2-4-18-36(32,33)25-12-7-22(28)8-13-25)17-3-5-19-37(34,35)26-14-9-23(29)10-15-26/h6-15,20H,16-19H2,1H3
InChIKey VVAZGXBXHTWBBM-UHFFFAOYSA-N
Molecular Weight 594.97
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms P-TOLUIDINE, N,N-BIS/4-//P-CHLOROPHENYL/SULFONYL/-2-BUTYNYL/-3-CHLORO-,