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Cyclopropanecarbonitrile, 2-(phenylethynyl)-2-[(2,2,3,3-tetramethyl-1-phenylcyclopropyl)ethynyl]-
SpectraBase Compound ID Gx6A6tjUYMc
InChI InChI=1S/C27H25N/c1-24(2)25(3,4)27(24,22-13-9-6-10-14-22)18-17-26(19-23(26)20-28)16-15-21-11-7-5-8-12-21/h5-14,23H,19H2,1-4H3
InChIKey QGOKUAMQECNGBD-UHFFFAOYSA-N
Mol Weight 363.5 g/mol
Molecular Formula C27H25N
Exact Mass 363.1987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hgt2LaaPrLu
Name Cyclopropanecarbonitrile, 2-(phenylethynyl)-2-[(2,2,3,3-tetramethyl-1-phenylcyclopropyl)ethynyl]-
CAS Registry Number 113860-49-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N
InChI InChI=1S/C27H25N/c1-24(2)25(3,4)27(24,22-13-9-6-10-14-22)18-17-26(19-23(26)20-28)16-15-21-11-7-5-8-12-21/h5-14,23H,19H2,1-4H3
InChIKey QGOKUAMQECNGBD-UHFFFAOYSA-N
Molecular Weight 363.504 g/mol
SMILES C1(C(C)(C)C1(C)C)(C#CC1(C#Cc2ccccc2)C(C#N)C1)c1ccccc1
SPLASH splash10-004i-0092000000-b4ffd016fad9fbd56296
Source of Spectrum J-53-2413-10
Synonyms 2-(Phenylethynyl)-2-[(2,2,3,3-tetramethyl-1-phenylcyclopropyl)ethynyl]cyclopropanecarbonitrile
Wiley ID 1350402