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6-tert-Butyl-1,3-bis-[(6-tert-butyl-azulen-1-yl)-phenyl-methyl]-azulene
SpectraBase Compound ID 7O1qMRFmmpN
InChI InChI=1S/C56H56/c1-54(2,3)41-24-20-37-22-30-48(44(37)32-26-41)52(39-16-12-10-13-17-39)50-36-51(47-35-29-43(56(7,8)9)28-34-46(47)50)53(40-18-14-11-15-19-40)49-31-23-38-21-25-42(55(4,5)6)27-33-45(38)49/h10-36,52-53H,1-9H3
InChIKey JCHPJXFAXKODNC-UHFFFAOYSA-N
Mol Weight 729.1 g/mol
Molecular Formula C56H56
Exact Mass 728.438202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7IhuK6sbqX
Name 6-tert-Butyl-1,3-bis-[(6-tert-butyl-azulen-1-yl)-phenyl-methyl]-azulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H56
InChI InChI=1S/C56H56/c1-54(2,3)41-24-20-37-22-30-48(44(37)32-26-41)52(39-16-12-10-13-17-39)50-36-51(47-35-29-43(56(7,8)9)28-34-46(47)50)53(40-18-14-11-15-19-40)49-31-23-38-21-25-42(55(4,5)6)27-33-45(38)49/h10-36,52-53H,1-9H3
InChIKey JCHPJXFAXKODNC-UHFFFAOYSA-N
Molecular Weight 729.064 g/mol
SMILES c1(c2c(ccc(cc2)C(C)(C)C)c(c1)C(c1c2ccc(C(C)(C)C)ccc2cc1)c1ccccc1)C(c1c2ccc(C(C)(C)C)ccc2cc1)c1ccccc1
SPLASH splash10-05fr-0290300000-0290cb451adb21bf8919
Source of Spectrum AJ-68-1431-21
Synonyms 1,3-Bis(6-t-butyl-1-azulenyl)phenylmethyl]azulene 6-tert-Butyl-1,3-bis[(6-tert-butyl-1-azulenyl)(phenyl)methyl]azulene
Wiley ID 773285