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2,3-Di-n-hexadecyloxypentacene
SpectraBase Compound ID 98xIgVRk6iS
InChI InChI=1S/C54H78O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-55-53-43-51-41-49-39-47-37-45-33-29-30-34-46(45)38-48(47)40-50(49)42-52(51)44-54(53)56-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34,37-44H,3-28,31-32,35-36H2,1-2H3
InChIKey SUFHJXMQDBQQTA-UHFFFAOYSA-N
Mol Weight 759.2 g/mol
Molecular Formula C54H78O2
Exact Mass 758.600182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J34qY4squw8
Name 2,3-Di-n-hexadecyloxypentacene
Alternate Name(s) 2,3-Bis(hexadecyloxy)pentacene 2,3-Dihexadecoxypentacene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H78O2
InChI InChI=1S/C54H78O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-55-53-43-51-41-49-39-47-37-45-33-29-30-34-46(45)38-48(47)40-50(49)42-52(51)44-54(53)56-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34,37-44H,3-28,31-32,35-36H2,1-2H3
InChIKey SUFHJXMQDBQQTA-UHFFFAOYSA-N
Molecular Weight 759.216 g/mol
SMILES c12c(cc3c(c2)cc2c(cccc2)c3)cc2c(c1)cc(c(OCCCCCCCCCCCCCCCC)c2)OCCCCCCCCCCCCCCCC
SPLASH splash10-0a4i-0014000900-67a6736ab3ee046617e2
Source of Spectrum F4-0-3507-3
Wiley ID 1619125