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4,5-Bis[4-(phenylethynyl)phenyl]-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene
SpectraBase Compound ID 486Im8qPUcS
InChI InChI=1S/C51H46O/c1-49(2,3)41-31-43(39-27-23-37(24-28-39)21-19-35-15-11-9-12-16-35)47-45(33-41)51(7,8)46-34-42(50(4,5)6)32-44(48(46)52-47)40-29-25-38(26-30-40)22-20-36-17-13-10-14-18-36/h9-18,23-34H,1-8H3
InChIKey RRNWISHAWMRLQT-UHFFFAOYSA-N
Mol Weight 674.9 g/mol
Molecular Formula C51H46O
Exact Mass 674.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54SSGBRbhg
Name 4,5-Bis[4-(phenylethynyl)phenyl]-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H46O
InChI InChI=1S/C51H46O/c1-49(2,3)41-31-43(39-27-23-37(24-28-39)21-19-35-15-11-9-12-16-35)47-45(33-41)51(7,8)46-34-42(50(4,5)6)32-44(48(46)52-47)40-29-25-38(26-30-40)22-20-36-17-13-10-14-18-36/h9-18,23-34H,1-8H3
InChIKey RRNWISHAWMRLQT-UHFFFAOYSA-N
Molecular Weight 674.928 g/mol
SMILES c12c(C(C)(C)c3c(O2)c(cc(C(C)(C)C)c3)-c2ccc(C#Cc3ccccc3)cc2)cc(cc1-c1ccc(C#Cc2ccccc2)cc1)C(C)(C)C
SPLASH splash10-06si-5090005000-e024ff361afa0061eb81
Source of Spectrum F-67-6809-3ei
Wiley ID 1687357