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9-[bis(3,6-ditert-butyl-1-azulenyl)methyl]anthracene
SpectraBase Compound ID BfQDLrlFna0
InChI InChI=1S/C51H56/c1-48(2,3)34-21-25-38-40(27-23-34)44(50(7,8)9)30-42(38)47(46-36-19-15-13-17-32(36)29-33-18-14-16-20-37(33)46)43-31-45(51(10,11)12)41-28-24-35(49(4,5)6)22-26-39(41)43/h13-31,47H,1-12H3
InChIKey IFWXGTHXWPYCEV-UHFFFAOYSA-N
Mol Weight 669.0 g/mol
Molecular Formula C51H56
Exact Mass 668.438202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3abd5ksZEol
Name 9-[bis(3,6-ditert-butyl-1-azulenyl)methyl]anthracene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H56
InChI InChI=1S/C51H56/c1-48(2,3)34-21-25-38-40(27-23-34)44(50(7,8)9)30-42(38)47(46-36-19-15-13-17-32(36)29-33-18-14-16-20-37(33)46)43-31-45(51(10,11)12)41-28-24-35(49(4,5)6)22-26-39(41)43/h13-31,47H,1-12H3
InChIKey IFWXGTHXWPYCEV-UHFFFAOYSA-N
Molecular Weight 669.009 g/mol
SMILES c1(c2c(ccc(cc2)C(C)(C)C)c(c1)C(C)(C)C)C(c1c2c(ccc(cc2)C(C)(C)C)c(c1)C(C)(C)C)c1c2c(cccc2)cc2c1cccc2
SPLASH splash10-03xr-2220009000-5a5eaa66d73291eb7abc
Source of Spectrum AJ-73-725-7
Synonyms 9-[bis(3,6-ditert-butylazulen-1-yl)methyl]anthracene
Wiley ID 775422