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N-Trifluoroacetyl-deacetylisocolchicine
SpectraBase Compound ID JcgNi7KaNud
InChI InChI=1S/C22H22F3NO6/c1-29-16-10-13-12(6-8-15(16)27)18-11(5-7-14(13)26-21(28)22(23,24)25)9-17(30-2)19(31-3)20(18)32-4/h6,8-10,14H,5,7H2,1-4H3,(H,26,28)/t14-/m0/s1
InChIKey MMPDMRMUKXXBSV-AWEZNQCLSA-N
Mol Weight 453.41 g/mol
Molecular Formula C22H22F3NO6
Exact Mass 453.139922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3N0aHb7hZiQ
Name N-Trifluoroacetyl-deacetylisocolchicine
Alternate Name(s) (S)-2,2,2-trifluoro-N-(1,2,3,9-tetramethoxy-10-oxo-5,6,7,10-tetrahydrobenzo[a]heptalen-7-yl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22F3NO6
InChI InChI=1S/C22H22F3NO6/c1-29-16-10-13-12(6-8-15(16)27)18-11(5-7-14(13)26-21(28)22(23,24)25)9-17(30-2)19(31-3)20(18)32-4/h6,8-10,14H,5,7H2,1-4H3,(H,26,28)/t14-/m0/s1
InChIKey MMPDMRMUKXXBSV-AWEZNQCLSA-N
Molecular Weight 453.414 g/mol
SMILES N([C@@]1(C=2C=C(C(C=CC2c2c(c(c(OC)cc2CC1)OC)OC)=O)OC)[H])C(=O)C(F)(F)F
SPLASH splash10-0fba-0044900000-9dc892892950ced329e0
Source of Spectrum H-62-968-14
Wiley ID 1797412