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(1R,2S)-1,2-Di-[(2R)-2-Methoxy-2-Phenyl-2-Trifluoromethylacetoxyl]-1,2,3,4-Tetrahydrodibenzofuran
SpectraBase Compound ID GqaJcrcnMzs
InChI InChI=1S/C32H26F6O7/c1-41-29(31(33,34)35,19-11-5-3-6-12-19)27(39)44-24-18-17-23-25(21-15-9-10-16-22(21)43-23)26(24)45-28(40)30(42-2,32(36,37)38)20-13-7-4-8-14-20/h3-16,24,26H,17-18H2,1-2H3/t24-,26-,29+,30+/m0/s1
InChIKey DFANTPNVKYJUNF-RQMUNXDHSA-N
Mol Weight 636.5 g/mol
Molecular Formula C32H26F6O7
Exact Mass 636.158272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlVxzfXtJE4
Name (1R,2S)-1,2-Di-[(2R)-2-Methoxy-2-Phenyl-2-Trifluoromethylacetoxyl]-1,2,3,4-Tetrahydrodibenzofuran
Appearance Colourless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26F6O7
InChI InChI=1S/C32H26F6O7/c1-41-29(31(33,34)35,19-11-5-3-6-12-19)27(39)44-24-18-17-23-25(21-15-9-10-16-22(21)43-23)26(24)45-28(40)30(42-2,32(36,37)38)20-13-7-4-8-14-20/h3-16,24,26H,17-18H2,1-2H3/t24-,26-,29+,30+/m0/s1
InChIKey DFANTPNVKYJUNF-RQMUNXDHSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900147
Molecular Weight 636.543 g/mol
Optical Rotation [a]D = +39.5 (c = 0.7, CHCl3)
SMILES c12oc3c(c2[C@]([C@](CC1)(OC([C@@](c1ccccc1)(OC)C(F)(F)F)=O)[H])(OC([C@@](c1ccccc1)(OC)C(F)(F)F)=O)[H])cccc3
SPLASH splash10-0fk9-0900503000-2fb89eb91edd98a60e3a
Source of Spectrum ASC-361-2536-7c(R), (+)-7c (R)
Wiley ID 1836654