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N-PARA-CHLORPHENYL-2-METHYL-4-(3,3,2,2-TETRACYANOPROP-1-YL)-BUTA-1,3-DIEN-1,4-SULTAMEN

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N-PARA-CHLORPHENYL-2-METHYL-4-(3,3,2,2-TETRACYANOPROP-1-YL)-BUTA-1,3-DIEN-1,4-SULTAMEN
SpectraBase Compound ID EbJZMm5l6xR
InChI InChI=1S/C18H12ClN5O2S/c1-13-6-17(7-18(11-22,12-23)14(8-20)9-21)24(27(25,26)10-13)16-4-2-15(19)3-5-16/h2-6,10,14H,7H2,1H3
InChIKey SRLAUSPCAQRAMF-UHFFFAOYSA-N
Mol Weight 397.84 g/mol
Molecular Formula C18H12ClN5O2S
Exact Mass 397.040024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CsNOzHOPIaq
Name N-(4-Chloro-phenyl)-2-methyl-4-(3,3,2,2-tetracyano-prop-1-yl)-buta-1,3-diene-1,4-sultame
CAS Registry Number 102118-44-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H12ClN5O2S
InChI InChI=1S/C18H12ClN5O2S/c1-13-6-17(7-18(11-22,12-23)14(8-20)9-21)24(27(25,26)10-13)16-4-2-15(19)3-5-16/h2-6,10,14H,7H2,1H3
InChIKey SRLAUSPCAQRAMF-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference E. Fanghaenel, R. Radeglia, K.H. Bedemann, J. Prakt. Chem. 327, 627 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3NO2