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3-Hydroxy-4-methoxytamoxifen, o-(trifluoroacetyl)-

View entire compound with spectra: 1 NMR

3-Hydroxy-4-methoxytamoxifen, o-(trifluoroacetyl)-
SpectraBase Compound ID G9SrAJUvyiN
InChI InChI=1S/C29H30F3NO4/c1-5-24(22-13-16-25(35-4)26(19-22)37-28(34)29(30,31)32)27(20-9-7-6-8-10-20)21-11-14-23(15-12-21)36-18-17-33(2)3/h6-16,19H,5,17-18H2,1-4H3/b27-24-
InChIKey RAAOGCQYGSXEHT-PNHLSOANSA-N
Mol Weight 513.56 g/mol
Molecular Formula C29H30F3NO4
Exact Mass 513.212693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9vOu0OsCzf
Name 3-Hydroxy-4-methoxytamoxifen, o-(trifluoroacetyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 513.212692935 u
Formula C29H30F3NO4
InChI InChI=1S/C29H30F3NO4/c1-5-24(22-13-16-25(35-4)26(19-22)37-28(34)29(30,31)32)27(20-9-7-6-8-10-20)21-11-14-23(15-12-21)36-18-17-33(2)3/h6-16,19H,5,17-18H2,1-4H3/b27-24-
InChIKey RAAOGCQYGSXEHT-PNHLSOANSA-N
Molecular Weight 513.557 g/mol
SMILES CC\C(=C/(C1=CC=CC=C1)C1=CC=C(C=C1)OCCN(C)C)C1=CC=C(C(=C1)OC(C(F)(F)F)=O)OC