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5-O-(4'-Methoxybenzyl)soraphene
SpectraBase Compound ID 2kqsYVbz8Lf
InChI InChI=1S/C37H52O9/c1-24-17-22-32(42-6)31(41-5)16-12-11-15-30(28-13-9-8-10-14-28)45-36(38)26(3)37(39)35(43-7)34(25(2)33(24)46-37)44-23-27-18-20-29(40-4)21-19-27/h8-10,13-14,17-22,24-26,30-35,39H,11-12,15-16,23H2,1-7H3/b22-17+/t24-,25+,26+,30-,31-,32+,33-,34-,35+,37+/m0/s1
InChIKey HOQKIIOHDJYDJQ-KYENNKPZSA-N
Mol Weight 640.8 g/mol
Molecular Formula C37H52O9
Exact Mass 640.361133 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LF6Jt7MRcpu
Name 5-O-(4'-Methoxybenzyl)soraphene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H52O9
InChI InChI=1S/C37H52O9/c1-24-17-22-32(42-6)31(41-5)16-12-11-15-30(28-13-9-8-10-14-28)45-36(38)26(3)37(39)35(43-7)34(25(2)33(24)46-37)44-23-27-18-20-29(40-4)21-19-27/h8-10,13-14,17-22,24-26,30-35,39H,11-12,15-16,23H2,1-7H3/b22-17+/t24-,25+,26+,30-,31-,32+,33-,34-,35+,37+/m0/s1
InChIKey HOQKIIOHDJYDJQ-KYENNKPZSA-N
Molecular Weight 640.814 g/mol
SMILES O[C@@]12[C@@]([C@@](OCc3ccc(OC)cc3)([C@@]([C@@](O1)([C@](\C=C\[C@]([C@@](OC)(CCCC[C@](OC([C@]2(C)[H])=O)(c1ccccc1)[H])[H])(OC)[H])(C)[H])[H])(C)[H])[H])(OC)[H]
SPLASH splash10-00di-0900000000-568e180cb288dd027dd3
Source of Spectrum U-1995-808-3
Wiley ID 766759