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4,5-BIS-(BENZYLTHIO)-3,6-DIETHYLPHTHALONITRILE
SpectraBase Compound ID DMMJf8B812B
InChI InChI=1S/C26H24N2S2/c1-3-21-23(15-27)24(16-28)22(4-2)26(30-18-20-13-9-6-10-14-20)25(21)29-17-19-11-7-5-8-12-19/h5-14H,3-4,17-18H2,1-2H3
InChIKey QUJIRNTUWGCWIW-UHFFFAOYSA-N
Mol Weight 428.61 g/mol
Molecular Formula C26H24N2S2
Exact Mass 428.138091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFbjfAoIZUu
Name 4,5-BIS-(BENZYLTHIO)-3,6-DIETHYLPHTHALONITRILE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H24N2S2
InChI InChI=1S/C26H24N2S2/c1-3-21-23(15-27)24(16-28)22(4-2)26(30-18-20-13-9-6-10-14-20)25(21)29-17-19-11-7-5-8-12-19/h5-14H,3-4,17-18H2,1-2H3
InChIKey QUJIRNTUWGCWIW-UHFFFAOYSA-N
Literature Reference Author T.KIMURA,A.YOMOGITA,T.MATSUTANI,T.SUZUKI,I.TANAKA,Y.KAWAI,Y. TAKAGUCHI,T.WAKAHARA
Literature Reference Citation J.ORG.CHEM.,69,4716(2004)
Literature Reference DOI 10.1021/jo030354j
Molecular Weight 428.610 g/mol
Solvent CDCl3
Source File Reference UWVN22026