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E/Z mixture 4-[2.2]paracyclophanyl-(1',3',3'-trimethylindolin-2'-ylidenemethyl)ketone
SpectraBase Compound ID FSfl0cyd2cq
InChI InChI=1S/C29H29NO/c1-29(2)25-6-4-5-7-26(25)30(3)28(29)19-27(31)24-18-22-13-12-20-8-10-21(11-9-20)14-16-23(24)17-15-22/h4-11,15,17-19H,12-14,16H2,1-3H3/b28-19-
InChIKey LMWFLOYZDXSKHK-USHMODERSA-N
Mol Weight 407.56 g/mol
Molecular Formula C29H29NO
Exact Mass 407.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HihPJhlCMzY
Name E/Z mixture 4-[2.2]paracyclophanyl-(1',3',3'-trimethylindolin-2'-ylidenemethyl)ketone
Alternate Name(s) (2Z)-1-tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethanone
CAS Registry Number 123439-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29NO
InChI InChI=1S/C29H29NO/c1-29(2)25-6-4-5-7-26(25)30(3)28(29)19-27(31)24-18-22-13-12-20-8-10-21(11-9-20)14-16-23(24)17-15-22/h4-11,15,17-19H,12-14,16H2,1-3H3/b28-19-
InChIKey LMWFLOYZDXSKHK-USHMODERSA-N
Molecular Weight 407.557 g/mol
SMILES c12N(\C(C(c1cccc2)(C)C)=C\C(c1c2CCc3ccc(CCc(c1)cc2)cc3)=O)C
SPLASH splash10-0a4i-0702900000-4c87eee9db1e7b6a4c6d
Source of Spectrum K-123-844-0
Wiley ID 1372677