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3,5-DCQA - per(trimethylsilyl)derivative
SpectraBase Compound ID 7XkNR8alMH6
InChI InChI=1S/C46H80O12Si7/c1-59(2,3)52-36-26-22-34(30-38(36)54-61(7,8)9)24-28-42(47)50-40-32-46(58-65(19,20)21,45(49)57-64(16,17)18)33-41(44(40)56-63(13,14)15)51-43(48)29-25-35-23-27-37(53-60(4,5)6)39(31-35)55-62(10,11)12/h22-31,40-41,44H,32-33H2,1-21H3/b28-24+,29-25+
InChIKey LJMLXSGYHPGJFX-NLLYGJECSA-N
Mol Weight 1021.7 g/mol
Molecular Formula C46H80O12Si7
Exact Mass 1020.403464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlACtHDladM
Name 3,5-DCQA - per(trimethylsilyl)derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H80O12Si7
InChI InChI=1S/C46H80O12Si7/c1-59(2,3)52-36-26-22-34(30-38(36)54-61(7,8)9)24-28-42(47)50-40-32-46(58-65(19,20)21,45(49)57-64(16,17)18)33-41(44(40)56-63(13,14)15)51-43(48)29-25-35-23-27-37(53-60(4,5)6)39(31-35)55-62(10,11)12/h22-31,40-41,44H,32-33H2,1-21H3/b28-24+,29-25+
InChIKey LJMLXSGYHPGJFX-NLLYGJECSA-N
Molecular Weight 1021.729 g/mol
SMILES C1(C(O[Si](C)(C)C)=O)(CC(OC(\C=C\c2cc(O[Si](C)(C)C)c(cc2)O[Si](C)(C)C)=O)C(C(C1)OC(\C=C\c1cc(O[Si](C)(C)C)c(cc1)O[Si](C)(C)C)=O)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-0ab9-3169000001-dfc5e4fe1fdcba51041c
Source of Spectrum O-34-1242-0
Synonyms 3,5-Dicaffeoylquinic acid-per(trimethylsilyl) derivative Trimethylsily 1,4,3',4',3'',4''-hexakis(trimethylsilyl)cyclohexyl-1-carboxylate Trimethylsily 1,4,3',4',3'',4''-hexakis(trimethylsilyl)cyclohexyl-1-carboxylate
Wiley ID 763440