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Benz[a]anthracene, 7,12-dimethyl-8,9-dihydro-8,9-diol
SpectraBase Compound ID 7sUUExzfSNa
InChI InChI=1S/C20H18O2/c1-11-15-9-10-17(21)20(22)19(15)12(2)14-8-7-13-5-3-4-6-16(13)18(11)14/h3-10,17,20-22H,1-2H3/t17-,20+/m1/s1
InChIKey MGVSNRUTBCLGBA-XLIONFOSSA-N
Mol Weight 290.36 g/mol
Molecular Formula C20H18O2
Exact Mass 290.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3z8UDaEwoAz
Name Benz[a]anthracene, 7,12-dimethyl-8,9-dihydro-8,9-diol
Alternate Name(s) (+-)-trans-8,9-dihydroxy-8,9-dihydrodimethylbenz(a)anthracene (8R,9R)-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol Benz(a)anthracene, 8,9-dihydro-8,9-dihydroxy-7,12-dimethyl-, (E)- trans-7,12-dimethylbenz(a)anthracene-8,9-dihydrodiol trans-8,9-dihydro-8,9-dihydroxy-7,12-dimethylbenz(a)anthracene trans-8,9-dihydro-8,9-dihydroxy-DMBA CCRIS 975
CAS Registry Number 65763-32-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O2
InChI InChI=1S/C20H18O2/c1-11-15-9-10-17(21)20(22)19(15)12(2)14-8-7-13-5-3-4-6-16(13)18(11)14/h3-10,17,20-22H,1-2H3/t17-,20+/m1/s1
InChIKey MGVSNRUTBCLGBA-XLIONFOSSA-N
Molecular Weight 290.362 g/mol
SMILES O[C@@]1(c2c(C=C[C@]1(O)[H])c(c1c3c(ccc1c2C)cccc3)C)[H]
SPLASH splash10-0f96-0090000000-325301c71e162fde7726
Source of Spectrum W5-1989-8385-1
Wiley ID 1294096