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2,3-Di(2-methylphenyl)-5,6,7,12,13,14-hexahydro-6.13-theno-pentacene
SpectraBase Compound ID 7TegDgAnw48
InChI InChI=1S/C38H32/c1-23-9-3-7-13-29(23)33-19-27-21-37-31-15-16-32(36-18-26-12-6-5-11-25(26)17-35(31)36)38(37)22-28(27)20-34(33)30-14-8-4-10-24(30)2/h3-16,19-20,31-32H,17-18,21-22H2,1-2H3/t31-,32+
InChIKey AHESGEUPGCWQPG-MEKGRNQZSA-N
Mol Weight 488.7 g/mol
Molecular Formula C38H32
Exact Mass 488.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ecgLcpT3b2
Name 2,3-Di(2-methylphenyl)-5,6,7,12,13,14-hexahydro-6.13-theno-pentacene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H32
InChI InChI=1S/C38H32/c1-23-9-3-7-13-29(23)33-19-27-21-37-31-15-16-32(36-18-26-12-6-5-11-25(26)17-35(31)36)38(37)22-28(27)20-34(33)30-14-8-4-10-24(30)2/h3-16,19-20,31-32H,17-18,21-22H2,1-2H3/t31-,32+
InChIKey AHESGEUPGCWQPG-MEKGRNQZSA-N
Molecular Weight 488.674 g/mol
SMILES C12=C([C@]3(C4=C([C@@]2(C=C3)[H])Cc2ccccc2C4)[H])Cc2c(C1)cc(-c1c(C)cccc1)c(c2)-c1c(C)cccc1
SPLASH splash10-000i-0401900000-b7f10fd4eb65468d546d
Source of Spectrum J-73-5512-4a
Wiley ID 1668484