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2,3,6,7,9,10-hexaheptyl-9,10-dihydroanthracene
SpectraBase Compound ID JkiWzNGULIl
InChI InChI=1S/C56H96/c1-7-13-19-25-31-37-47-43-53-51(41-35-29-23-17-11-5)55-45-49(39-33-27-21-15-9-3)50(40-34-28-22-16-10-4)46-56(55)52(42-36-30-24-18-12-6)54(53)44-48(47)38-32-26-20-14-8-2/h43-46,51-52H,7-42H2,1-6H3
InChIKey DIXVWHFWRKYLKW-UHFFFAOYSA-N
Mol Weight 769.4 g/mol
Molecular Formula C56H96
Exact Mass 768.751203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IzvovpPRBV
Name 2,3,6,7,9,10-hexaheptyl-9,10-dihydroanthracene
CAS Registry Number 113568-72-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H96
InChI InChI=1S/C56H96/c1-7-13-19-25-31-37-47-43-53-51(41-35-29-23-17-11-5)55-45-49(39-33-27-21-15-9-3)50(40-34-28-22-16-10-4)46-56(55)52(42-36-30-24-18-12-6)54(53)44-48(47)38-32-26-20-14-8-2/h43-46,51-52H,7-42H2,1-6H3
InChIKey DIXVWHFWRKYLKW-UHFFFAOYSA-N
Molecular Weight 769.384 g/mol
SMILES c12c(C(CCCCCCC)c3c(C2CCCCCCC)cc(c(CCCCCCC)c3)CCCCCCC)cc(c(c1)CCCCCCC)CCCCCCC
SPLASH splash10-0a4i-9000004000-ee94d49887cde2f08179
Source of Spectrum K-121-1195-20
Wiley ID 1416696