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Propanedinitrile, [5,6-diphenyl-3-(phenylseleno)bicyclo[3.1.0]hex-2-ylidene]-
SpectraBase Compound ID JWTWLUZM948
InChI InChI=1S/C27H20N2Se/c28-17-20(18-29)24-23(30-22-14-8-3-9-15-22)16-27(21-12-6-2-7-13-21)25(26(24)27)19-10-4-1-5-11-19/h1-15,23,25-26H,16H2/t23?,25?,26-,27+/m1/s1
InChIKey WGJOAXUNDUTTNV-GVGLZRGFSA-N
Mol Weight 451.44 g/mol
Molecular Formula C27H20N2Se
Exact Mass 452.079171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BLOwkCf0Sh
Name Propanedinitrile, [5,6-diphenyl-3-(phenylseleno)bicyclo[3.1.0]hex-2-ylidene]-
CAS Registry Number 70238-99-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20N2Se
InChI InChI=1S/C27H20N2Se/c28-17-20(18-29)24-23(30-22-14-8-3-9-15-22)16-27(21-12-6-2-7-13-21)25(26(24)27)19-10-4-1-5-11-19/h1-15,23,25-26H,16H2/t23?,25?,26-,27+/m1/s1
InChIKey WGJOAXUNDUTTNV-GVGLZRGFSA-N
Molecular Weight 451.443 g/mol
SMILES [C@@]12([C@@](C(=C(C#N)C#N)C(C2)[Se]c2ccccc2)([H])C1c1ccccc1)c1ccccc1
SPLASH splash10-001i-9201000000-6deff5cf81eb7f7c532d
Source of Spectrum C-101-1849-0
Synonyms 2-Dicyanomethylene-3-phenylseleno-trans-5,6-diphenylbicyclo[3.1.0]hexane 2-[(1R,5S)-5,6-diphenyl-3-(phenylselanyl)bicyclo[3.1.0]hex-2-ylidene]malononitrile
Wiley ID 1388307