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2,3,5,6-Dibenzobicyclo[2.2.2]octa-2,5-dien-7-ol Methanesulfonate
SpectraBase Compound ID Gji0S0WWTco
InChI InChI=1S/C17H16O3S/c1-21(18,19)20-16-10-15-11-6-2-4-8-13(11)17(16)14-9-5-3-7-12(14)15/h2-9,15-17H,10H2,1H3/t15-,16?,17+
InChIKey MZOIREARBPEGIL-KXOWAINCSA-N
Mol Weight 300.37 g/mol
Molecular Formula C17H16O3S
Exact Mass 300.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RMyyaBpIC8
Name 2,3,5,6-Dibenzobicyclo[2.2.2]octa-2,5-dien-7-ol Methanesulfonate
Alternate Name(s) Tetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaen-15-yl methanesulfonate
CAS Registry Number 96690-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O3S
InChI InChI=1S/C17H16O3S/c1-21(18,19)20-16-10-15-11-6-2-4-8-13(11)17(16)14-9-5-3-7-12(14)15/h2-9,15-17H,10H2,1H3/t15-,16?,17+
InChIKey MZOIREARBPEGIL-KXOWAINCSA-N
Molecular Weight 300.372 g/mol
SMILES C1(OS(=O)(=O)C)[C@]2(c3ccccc3[C@@](C1)(c1ccccc21)[H])[H]
SPLASH splash10-004i-0930000000-e17c1aa7648f2dd79794
Source of Spectrum J-50-2704-0
Wiley ID 1302869