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anti-2,3-(10,11-Dimethoxybenzo)-5,6-benzobicyclo[2.2.2]octa-2,5-dien-7-ol methanesulfonate
SpectraBase Compound ID I7DPo5XE8Ck
InChI InChI=1S/C19H20O5S/c1-22-16-8-14-13-9-18(24-25(3,20)21)19(15(14)10-17(16)23-2)12-7-5-4-6-11(12)13/h4-8,10,13,18-19H,9H2,1-3H3/t13-,18?,19+/m0/s1
InChIKey NHYSXMGBIMZDNA-LPHKOSDUSA-N
Mol Weight 360.42 g/mol
Molecular Formula C19H20O5S
Exact Mass 360.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TPOgeBABpR
Name anti-2,3-(10,11-Dimethoxybenzo)-5,6-benzobicyclo[2.2.2]octa-2,5-dien-7-ol methanesulfonate
CAS Registry Number 96745-36-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O5S
InChI InChI=1S/C19H20O5S/c1-22-16-8-14-13-9-18(24-25(3,20)21)19(15(14)10-17(16)23-2)12-7-5-4-6-11(12)13/h4-8,10,13,18-19H,9H2,1-3H3/t13-,18?,19+/m0/s1
InChIKey NHYSXMGBIMZDNA-LPHKOSDUSA-N
Molecular Weight 360.424 g/mol
SMILES c12c([C@@]3(C(C[C@]2(c2c3cccc2)[H])OS(=O)(=O)C)[H])cc(c(c1)OC)OC
SPLASH splash10-001s-1391000000-8ea21c6916cbe15a2afb
Source of Spectrum J-50-2705-0
Synonyms syn-2,3-(10,11-dimethoxybenzo)-5,6-benzobicyclo[2.2.2]octa-2,5-dien-7-ol methanesulfonate 4,5-Dimethoxytetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaen-15-yl methanesulfonate
Wiley ID 1348242