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2,5,10,13-tetra(t-butyl)terrylene
SpectraBase Compound ID CVXE5IBCv4L
InChI InChI=1S/C46H48/c1-43(2,3)27-17-25-18-28(44(4,5)6)22-36-32-15-16-34-38-24-30(46(10,11)12)20-26-19-29(45(7,8)9)23-37(40(26)38)33-14-13-31(41(32)42(33)34)35(21-27)39(25)36/h13-24H,1-12H3
InChIKey CFRXMPDJQIFRGZ-UHFFFAOYSA-N
Mol Weight 600.9 g/mol
Molecular Formula C46H48
Exact Mass 600.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIz3IaTYzOJ
Name 2,5,10,13-tetra(t-butyl)terrylene
CAS Registry Number 126822-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H48
InChI InChI=1S/C46H48/c1-43(2,3)27-17-25-18-28(44(4,5)6)22-36-32-15-16-34-38-24-30(46(10,11)12)20-26-19-29(45(7,8)9)23-37(40(26)38)33-14-13-31(41(32)42(33)34)35(21-27)39(25)36/h13-24H,1-12H3
InChIKey CFRXMPDJQIFRGZ-UHFFFAOYSA-N
Molecular Weight 600.890 g/mol
SMILES c12c3c4c5cc(C(C)(C)C)cc6c5c(c3ccc2c2c3c(cc(cc3c1cc4)C(C)(C)C)cc(c2)C(C)(C)C)cc(C(C)(C)C)c6
SPLASH splash10-056r-0970002000-9d793adaaccf781cdc30
Source of Spectrum K-124-2099-3
Wiley ID 1410214