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4,5-BIS-(4-NITROPHENETHYLSELENO)-3,6-DIETHYLPHTHALONITRILE
SpectraBase Compound ID ByeJ32ImIFJ
InChI InChI=1S/C28H26N4O4Se2/c1-3-23-25(17-29)26(18-30)24(4-2)28(38-16-14-20-7-11-22(12-8-20)32(35)36)27(23)37-15-13-19-5-9-21(10-6-19)31(33)34/h5-12H,3-4,13-16H2,1-2H3
InChIKey SXCLLRIXRRFHAN-UHFFFAOYSA-N
Mol Weight 640.48 g/mol
Molecular Formula C28H26N4O4Se2
Exact Mass 642.028449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9aDUKjnUP6f
Name 4,5-BIS-(4-NITROPHENETHYLSELENO)-3,6-DIETHYLPHTHALONITRILE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H26N4O4Se2
InChI InChI=1S/C28H26N4O4Se2/c1-3-23-25(17-29)26(18-30)24(4-2)28(38-16-14-20-7-11-22(12-8-20)32(35)36)27(23)37-15-13-19-5-9-21(10-6-19)31(33)34/h5-12H,3-4,13-16H2,1-2H3
InChIKey SXCLLRIXRRFHAN-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 640.459 g/mol
Solvent CDCl3
Source File Reference UWVN22025