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4-chloro-3-nitro-N-[4-(p-tolylsulfonyl)-2-butynyl]aniline

View entire compound with spectra: 3 NMR, and 1 FTIR

4-chloro-3-nitro-N-[4-(p-tolylsulfonyl)-2-butynyl]aniline
SpectraBase Compound ID ACoG4kABeBa
InChI InChI=1S/C17H15ClN2O4S/c1-13-4-7-15(8-5-13)25(23,24)11-3-2-10-19-14-6-9-16(18)17(12-14)20(21)22/h4-9,12,19H,10-11H2,1H3
InChIKey LDCQBGXEWAAKOR-UHFFFAOYSA-N
Mol Weight 378.83 g/mol
Molecular Formula C17H15ClN2O4S
Exact Mass 378.044106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4oZRWhpShxo
Name 4-CHLORO-3-NITRO-N-[4-(p-TOLYLSULFONYL)-2-BUTYNYL]ANILINE
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 C17H15ClN2O4S
InChI InChI=1S/C17H15ClN2O4S/c1-13-4-7-15(8-5-13)25(23,24)11-3-2-10-19-14-6-9-16(18)17(12-14)20(21)22/h4-9,12,19H,10-11H2,1H3
InChIKey LDCQBGXEWAAKOR-UHFFFAOYSA-N
Melting Point 111-112C
Molecular Weight 378.84
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ANILINE, 4-CHLORO-3-NITRO- N-/4-/P-TOLYLSULFONYL/-2-BUTYNYL/-,