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Benzenepropanenitrile, .beta.-oxo-.alpha.-(tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-ylmethylene)-
SpectraBase Compound ID 28fE6hl0BMu
InChI InChI=1S/C26H21NO/c27-18-25(26(28)23-4-2-1-3-5-23)17-24-16-21-11-10-19-6-8-20(9-7-19)12-14-22(24)15-13-21/h1-9,13,15-17H,10-12,14H2/b25-17+
InChIKey YZGPJJLLRQILNO-KOEQRZSOSA-N
Mol Weight 363.46 g/mol
Molecular Formula C26H21NO
Exact Mass 363.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YYaA6kMjip
Name Benzenepropanenitrile, .beta.-oxo-.alpha.-(tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-ylmethylene)-
CAS Registry Number 111864-30-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21NO
InChI InChI=1S/C26H21NO/c27-18-25(26(28)23-4-2-1-3-5-23)17-24-16-21-11-10-19-6-8-20(9-7-19)12-14-22(24)15-13-21/h1-9,13,15-17H,10-12,14H2/b25-17+
InChIKey YZGPJJLLRQILNO-KOEQRZSOSA-N
Molecular Weight 363.460 g/mol
SMILES c1(\C=C\(C(=O)c2ccccc2)C#N)c2ccc(c1)CCc1ccc(CC2)cc1
SPLASH splash10-0zg0-8921000000-14859d9bb19db557b1af
Source of Spectrum O-22-694-4
Synonyms Tricyclo[8.2.2.24,7]hexadecane, benzenepropanenitrile deriv. (2E)-2-benzoyl-3-tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl-2-propenenitrile 1-Cyano-2-(5-[2,2]paracyclophanyl)-1-benzoylethylene 2-Cyano-2-benzoyl-(2,2)paracyclophanylethene
Wiley ID 1350396