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1-{5-{[2-(tert-butylthio)ethyl]amino}-2-chloro-4-nitrophenyl}pyrrole

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1-{5-{[2-(tert-butylthio)ethyl]amino}-2-chloro-4-nitrophenyl}pyrrole
SpectraBase Compound ID F2jaOUbecql
InChI InChI=1S/C16H20ClN3O2S/c1-16(2,3)23-9-6-18-13-11-14(19-7-4-5-8-19)12(17)10-15(13)20(21)22/h4-5,7-8,10-11,18H,6,9H2,1-3H3
InChIKey UUHUBXVJXUGFAX-UHFFFAOYSA-N
Mol Weight 353.87 g/mol
Molecular Formula C16H20ClN3O2S
Exact Mass 353.096476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKIcfaBCIDw
Name 1-{5-{[2-(tert-BUTYLTHIO)ETHYL]AMINO}-2-CHLORO-4-NITROPHENYL}PYRROLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20ClN3O2S
InChI InChI=1S/C16H20ClN3O2S/c1-16(2,3)23-9-6-18-13-11-14(19-7-4-5-8-19)12(17)10-15(13)20(21)22/h4-5,7-8,10-11,18H,6,9H2,1-3H3
InChIKey UUHUBXVJXUGFAX-UHFFFAOYSA-N
Melting Point 90-91C
Molecular Weight 353.87
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PYRROLE, 1-{5-{[2-(tert-BUTYLTHIO)ETHYL]AMINO}-2-CHLORO-4-NITROPHENYL}-,