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9,10-Bis[bis(tert-butylethynyl)methylene]-9,10-dihydroanthracene
SpectraBase Compound ID 1imGIUtg6rx
InChI InChI=1S/C40H44/c1-37(2,3)25-21-29(22-26-38(4,5)6)35-31-17-13-15-19-33(31)36(34-20-16-14-18-32(34)35)30(23-27-39(7,8)9)24-28-40(10,11)12/h13-20H,1-12H3
InChIKey PSCWQXQLWFLDSW-UHFFFAOYSA-N
Mol Weight 524.8 g/mol
Molecular Formula C40H44
Exact Mass 524.344301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Fh6a040Nq4
Name 9,10-Bis[bis(tert-butylethynyl)methylene]-9,10-dihydroanthracene
Alternate Name(s) 9,10-bis[1-(3,3-dimethyl-1-butynyl)-4,4-dimethyl-2-pentynylidene]-9,10-dihydroanthracene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H44
InChI InChI=1S/C40H44/c1-37(2,3)25-21-29(22-26-38(4,5)6)35-31-17-13-15-19-33(31)36(34-20-16-14-18-32(34)35)30(23-27-39(7,8)9)24-28-40(10,11)12/h13-20H,1-12H3
InChIKey PSCWQXQLWFLDSW-UHFFFAOYSA-N
Molecular Weight 524.792 g/mol
SMILES C1(c2c(cccc2)C(c2c1cccc2)=C(C#CC(C)(C)C)C#CC(C)(C)C)=C(C#CC(C)(C)C)C#CC(C)(C)C
SPLASH splash10-00di-0000090000-cca0072112380b3a34df
Source of Spectrum SO-0-1366-8
Wiley ID 875747