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Chrysene, 11-bromo-4b,5,6,12-tetrahydro-2,8-dimethoxy-4b-methyl-
SpectraBase Compound ID 5Kdfsj4QlRj
InChI InChI=1S/C21H21BrO2/c1-21-9-8-13-10-15(23-2)4-6-17(13)20(21)19(22)12-14-11-16(24-3)5-7-18(14)21/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey ZKKKOZOORUXWNO-UHFFFAOYSA-N
Mol Weight 385.3 g/mol
Molecular Formula C21H21BrO2
Exact Mass 384.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PKVrSelNI
Name Chrysene, 11-bromo-4b,5,6,12-tetrahydro-2,8-dimethoxy-4b-methyl-
CAS Registry Number 71505-89-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21BrO2
InChI InChI=1S/C21H21BrO2/c1-21-9-8-13-10-15(23-2)4-6-17(13)20(21)19(22)12-14-11-16(24-3)5-7-18(14)21/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey ZKKKOZOORUXWNO-UHFFFAOYSA-N
Molecular Weight 385.301 g/mol
SMILES C12(C(=C(Br)Cc3c2ccc(OC)c3)c2ccc(cc2CC1)OC)C
SPLASH splash10-0a4l-0289000000-5a5f80e2a1850765f6bc
Source of Spectrum B-32-1116-0
Synonyms 11-Bromo-2,8-dimethoxy-4b-methyl-4b,5,6,12-tetrahydrochrysene
Wiley ID 1361531