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2,3,12,13-tetrapropyltribenzo[fg,ij,rst]pentaphene
SpectraBase Compound ID DiI12D0V6iq
InChI InChI=1S/C42H40/c1-5-11-25-21-35-31-17-9-15-29-30-16-10-18-32-36-22-26(12-6-2)28(14-8-4)24-38(36)34-20-19-33(37(35)23-27(25)13-7-3)41(39(29)31)42(34)40(30)32/h9-10,15-24H,5-8,11-14H2,1-4H3
InChIKey UJKCXCPNZNEYOA-UHFFFAOYSA-N
Mol Weight 544.8 g/mol
Molecular Formula C42H40
Exact Mass 544.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XWFtDKn2dn
Name 2,3,12,13-tetrapropyltribenzo[fg,ij,rst]pentaphene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H40
InChI InChI=1S/C42H40/c1-5-11-25-21-35-31-17-9-15-29-30-16-10-18-32-36-22-26(12-6-2)28(14-8-4)24-38(36)34-20-19-33(37(35)23-27(25)13-7-3)41(39(29)31)42(34)40(30)32/h9-10,15-24H,5-8,11-14H2,1-4H3
InChIKey UJKCXCPNZNEYOA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000832
Molecular Weight 544.782 g/mol
SMILES c1cc2c3c(c4c(c5ccc6c7c(cc(c(c7)CCC)CCC)c7cccc2c7c6c35)cc(c(c4)CCC)CCC)c1
SPLASH splash10-0007-0000090000-329b9636dc41e6c30b6c
Source of Spectrum ASC-353-303/SM9-13
Wiley ID 1764765