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(E)-2-[1-Cyano-1-(4-tolyl)methylidene]-4,6-dimethyl-3-(3,5-dimethylphenyl)imino-2,3-dihydro-1H-indole
SpectraBase Compound ID IIe6EuAclxL
InChI InChI=1S/C27H25N3/c1-16-6-8-21(9-7-16)23(15-28)26-27(29-22-12-17(2)10-18(3)13-22)25-20(5)11-19(4)14-24(25)30-26/h6-14,30H,1-5H3/b26-23-,29-27+
InChIKey ROYIUHCXRQJMKI-NSFBTUERSA-N
Mol Weight 391.52 g/mol
Molecular Formula C27H25N3
Exact Mass 391.204848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DUDG7QcnnB
Name (E)-2-[1-Cyano-1-(4-tolyl)methylidene]-4,6-dimethyl-3-(3,5-dimethylphenyl)imino-2,3-dihydro-1H-indole
Alternate Name(s) (2E)-{(3E)-3-[(3,5-dimethylphenyl)imino]-4,6-dimethyl-1,3-dihydro-2H-indol-2-ylidene}(4-methylphenyl)ethanenitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N3
InChI InChI=1S/C27H25N3/c1-16-6-8-21(9-7-16)23(15-28)26-27(29-22-12-17(2)10-18(3)13-22)25-20(5)11-19(4)14-24(25)30-26/h6-14,30H,1-5H3/b26-23-,29-27+
InChIKey ROYIUHCXRQJMKI-NSFBTUERSA-N
Molecular Weight 391.518 g/mol
SMILES N1c2cc(cc(c2\C(\C1=C\(C#N)c1ccc(cc1)C)=N\c1cc(C)cc(c1)C)C)C
SPLASH splash10-0006-0009000000-76810b7e3babbe1c68a8
Source of Spectrum QF-9-3960-3
Wiley ID 1558748