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9-[bis(3,6-Ditert-butyl-1-azulenyl)methyl]anthracene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxN6oLHiSnA
Name 9-[bis(3,6-Ditert-butyl-1-azulenyl)methyl]anthracene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 668.438201803 u
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
SMILES C1(=C2C(=CC=C(C=C2)C(C)(C)C)C(=C1)C(C)(C)C)C(C1=C2C(=CC=C(C=C2)C(C)(C)C)C(=C1)C(C)(C)C)C1=C2C(C=CC=C2)=CC=2C1=CC=CC2