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2,5,12,15-tetra(t-butyl)quaterrylene

View entire compound with spectra: 1 MS (GC)

2,5,12,15-tetra(t-butyl)quaterrylene
SpectraBase Compound ID 9jLmui0EVn6
InChI InChI=1S/C56H52/c1-53(2,3)31-21-29-22-32(54(4,5)6)26-44-40-18-14-36-38-16-20-42-46-28-34(56(10,11)12)24-30-23-33(55(7,8)9)27-45(48(30)46)41-19-15-37(50(38)52(41)42)35-13-17-39(51(40)49(35)36)43(25-31)47(29)44/h13-28H,1-12H3
InChIKey YGVMFYBWPDIEHN-UHFFFAOYSA-N
Mol Weight 725.0 g/mol
Molecular Formula C56H52
Exact Mass 724.406902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qPMuCD9aBU
Name 2,5,12,15-tetra(t-butyl)quaterrylene
Alternate Name(s) 2,5,12,15-tetratert-butylbenzo[10,5]anthra[9,1,2-cde]dibenzo[kl,rst]pentaphene
CAS Registry Number 126822-84-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H52
InChI InChI=1S/C56H52/c1-53(2,3)31-21-29-22-32(54(4,5)6)26-44-40-18-14-36-38-16-20-42-46-28-34(56(10,11)12)24-30-23-33(55(7,8)9)27-45(48(30)46)41-19-15-37(50(38)52(41)42)35-13-17-39(51(40)49(35)36)43(25-31)47(29)44/h13-28H,1-12H3
InChIKey YGVMFYBWPDIEHN-UHFFFAOYSA-N
Molecular Weight 725.032 g/mol
SMILES c12c3c4c5cc(C(C)(C)C)cc6c5c(c3ccc1c1c3c5c(c7cc(C(C)(C)C)cc8c7c(c5cc1)cc(c8)C(C)(C)C)ccc3c2cc4)cc(c6)C(C)(C)C
SPLASH splash10-004i-0009000200-ca9803588d3882d9dfa7
Source of Spectrum K-124-2099-4
Wiley ID 1415764