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2-Butenedinitrile, 2,3-bis[5,7-bis(1,1-dimethylethyl)-3,3-dimethyl-3H-indol-2-yl]-, (E)-
SpectraBase Compound ID CSE8R0XKNhk
InChI InChI=1S/C40H52N4/c1-35(2,3)23-17-27(37(7,8)9)31-29(19-23)39(13,14)33(43-31)25(21-41)26(22-42)34-40(15,16)30-20-24(36(4,5)6)18-28(32(30)44-34)38(10,11)12/h17-20H,1-16H3/b26-25+
InChIKey RAWGMGRGKLRFFD-OCEACIFDSA-N
Mol Weight 588.9 g/mol
Molecular Formula C40H52N4
Exact Mass 588.419198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pII5cQxuaw
Name 2-Butenedinitrile, 2,3-bis[5,7-bis(1,1-dimethylethyl)-3,3-dimethyl-3H-indol-2-yl]-, (E)-
CAS Registry Number 95836-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H52N4
InChI InChI=1S/C40H52N4/c1-35(2,3)23-17-27(37(7,8)9)31-29(19-23)39(13,14)33(43-31)25(21-41)26(22-42)34-40(15,16)30-20-24(36(4,5)6)18-28(32(30)44-34)38(10,11)12/h17-20H,1-16H3/b26-25+
InChIKey RAWGMGRGKLRFFD-OCEACIFDSA-N
Molecular Weight 588.884 g/mol
SMILES C1(=Nc2c(cc(cc2C1(C)C)C(C)(C)C)C(C)(C)C)\C(=C\(C1=Nc2c(cc(cc2C1(C)C)C(C)(C)C)C(C)(C)C)C#N)C#N
SPLASH splash10-05g1-0000090000-8359d814e6317b85889f
Source of Spectrum K-118-523-23
Synonyms (2E)-2,3-bis(5,7-ditert-butyl-3,3-dimethyl-3H-indol-2-yl)-2-butenedinitrile 2,3-bis(5,7-di-tert-butyl-3,3-dimethyl-3H-indol-2-yl)fumarodinitrile
Wiley ID 1409234