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9-Bromo-3,16-bis(hydroxymethyl)-heptahelicene
SpectraBase Compound ID JbraCgH30bu
InChI InChI=1S/C32H21BrO2/c33-28-15-24-8-5-20-3-6-22-13-18(16-34)1-10-25(22)29(20)31(24)32-27(28)12-9-21-4-7-23-14-19(17-35)2-11-26(23)30(21)32/h1-15,34-35H,16-17H2
InChIKey QILHDQYUQOLXET-UHFFFAOYSA-N
Mol Weight 517.4 g/mol
Molecular Formula C32H21BrO2
Exact Mass 516.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18Or30vLBvE
Name 9-Bromo-3,16-bis(hydroxymethyl)-heptahelicene
Alternate Name(s) [17-bromo-11-(hydroxymethyl)benzo[c]phenanthro[4,3-g]phenanthren-6-yl]methanol
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Formula C32H21BrO2
InChI InChI=1S/C32H21BrO2/c33-28-15-24-8-5-20-3-6-22-13-18(16-34)1-10-25(22)29(20)31(24)32-27(28)12-9-21-4-7-23-14-19(17-35)2-11-26(23)30(21)32/h1-15,34-35H,16-17H2
InChIKey QILHDQYUQOLXET-UHFFFAOYSA-N
Molecular Weight 517.422 g/mol
SMILES OCc1cc2c(c3c4c5c6c7ccc(CO)cc7ccc6ccc5cc(c4ccc3cc2)Br)cc1
SPLASH splash10-014i-0101090000-5b4053d1fbc4246e4ef4
Source of Spectrum HE-2005-2341-11
Wiley ID 1613801