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TFA-TMS-derivative of domoic acid
SpectraBase Compound ID 8C5HBec13sR
InChI InChI=1S/C26H44F3NO7Si3/c1-17(13-12-14-18(2)23(32)36-39(6,7)8)20-16-30(25(34)26(27,28)29)22(24(33)37-40(9,10)11)19(20)15-21(31)35-38(3,4)5/h12-14,18-20,22H,15-16H2,1-11H3/b14-12+,17-13+
InChIKey HXRAPWPJSUGMPO-SWZGKVDCSA-N
Mol Weight 623.9 g/mol
Molecular Formula C26H44F3NO7Si3
Exact Mass 623.237767 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1NnECzvo6y
Name TFA-TMS-derivative of domoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44F3NO7Si3
InChI InChI=1S/C26H44F3NO7Si3/c1-17(13-12-14-18(2)23(32)36-39(6,7)8)20-16-30(25(34)26(27,28)29)22(24(33)37-40(9,10)11)19(20)15-21(31)35-38(3,4)5/h12-14,18-20,22H,15-16H2,1-11H3/b14-12+,17-13+
InChIKey HXRAPWPJSUGMPO-SWZGKVDCSA-N
Molecular Weight 623.888 g/mol
SMILES C1(N(CC(C1CC(O[Si](C)(C)C)=O)\C(=C\C=C\C(C(O[Si](C)(C)C)=O)C)C)C(C(F)(F)F)=O)C(O[Si](C)(C)C)=O
SPLASH splash10-00dj-9620001000-68e1fbfb6d858e8c535b
Source of Spectrum KO-19-423-1
Synonyms Trimethylsilyl 4-{(1E,3E)-1,5-dimethyl-6-oxo-6-[(trimethylsilyl)oxy]-1,3-hexadienyl}-3-{2-oxo-2-[(trimethylsilyl)oxy]ethyl}-1-(trifluoroacetyl)-2-pyrrolidinecarboxylate Trimethylsilyl N-trifluoroacetyl-4-[5'-(trimethylsilyloxy)carbonyl-1'-methylhexa-1',3'-dienyl)-3-[(trimethylsilyloxy)carbonyl]methyl-tetrahydropyrrole-2-carboxylate
Wiley ID 1411711