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Pentacene, 1,2,3,4,8,9,10,11-octahydro-1,1,4,4,8,8,11,11-octamethyl-
SpectraBase Compound ID LGMhCILQ7Bo
InChI InChI=1S/C30H38/c1-27(2)9-10-28(3,4)24-16-20-14-22-18-26-25(29(5,6)11-12-30(26,7)8)17-21(22)13-19(20)15-23(24)27/h13-18H,9-12H2,1-8H3
InChIKey TXWDBYZTUYOULR-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C30H38
Exact Mass 398.297351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4Mvc1tWUXw
Name 1,1,4,4,8,8,11,11-octamethyl-2,3,9,10-tetrahydropentacene
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820837
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38
InChI InChI=1S/C30H38/c1-27(2)9-10-28(3,4)24-16-20-14-22-18-26-25(29(5,6)11-12-30(26,7)8)17-21(22)13-19(20)15-23(24)27/h13-18H,9-12H2,1-8H3
InChIKey TXWDBYZTUYOULR-UHFFFAOYSA-N
Molecular Weight 398.634 g/mol
SMILES C1CC(c2c(C1(C)C)cc1c(c2)cc2c(c1)cc1c(c2)C(CCC1(C)C)(C)C)(C)C
SPLASH splash10-016r-9000000000-5071bd3bd53d6b73cac7
Wiley ID 1471648