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Anthracene, 1,8-bis(2,3-dimethylphenyl)-9-methyl-, stereoisomer
SpectraBase Compound ID G1FBycavdBy
InChI InChI=1S/C31H28/c1-19-12-14-26(21(3)16-19)28-10-6-8-24-18-25-9-7-11-29(31(25)23(5)30(24)28)27-15-13-20(2)17-22(27)4/h6-18H,1-5H3
InChIKey HVKUHXPDKYJOPV-UHFFFAOYSA-N
Mol Weight 400.57 g/mol
Molecular Formula C31H28
Exact Mass 400.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBCvNArrf5c
Name Anthracene, 1,8-bis(2,3-dimethylphenyl)-9-methyl-, stereoisomer
Alternate Name(s) 1,8-bis(2,4-dimethylphenyl)-9-methylanthracene 9-Methyl-1,8-dixylylanthracene
CAS Registry Number 100483-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H28
InChI InChI=1S/C31H28/c1-19-12-14-26(21(3)16-19)28-10-6-8-24-18-25-9-7-11-29(31(25)23(5)30(24)28)27-15-13-20(2)17-22(27)4/h6-18H,1-5H3
InChIKey HVKUHXPDKYJOPV-UHFFFAOYSA-N
Molecular Weight 400.565 g/mol
SMILES c12c(c3c(-c4c(cc(cc4)C)C)cccc3cc1cccc2-c1c(cc(cc1)C)C)C
SPLASH splash10-0f79-0009500000-69b9434401bf218fa9f5
Source of Spectrum J-51-928-15
Wiley ID 1369857