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(6S,7S)-cis-6,7-dihydroxy-4,5,6,7-tetrahydrobenzofuran bis(MTPA) dev.
SpectraBase Compound ID GdWLk5sznBE
InChI InChI=1S/C28H24F6O7/c1-37-25(27(29,30)31,18-9-5-3-6-10-18)23(35)40-20-14-13-17-15-16-39-21(17)22(20)41-24(36)26(38-2,28(32,33)34)19-11-7-4-8-12-19/h3-12,15-16,20,22H,13-14H2,1-2H3
InChIKey HRUMOAZYJMLQDZ-UHFFFAOYSA-N
Mol Weight 586.48 g/mol
Molecular Formula C28H24F6O7
Exact Mass 586.142622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FahQOQm5OTS
Name (6S,7S)-cis-6,7-dihydroxy-4,5,6,7-tetrahydrobenzofuran bis(MTPA) dev.
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24F6O7
InChI InChI=1S/C28H24F6O7/c1-37-25(27(29,30)31,18-9-5-3-6-10-18)23(35)40-20-14-13-17-15-16-39-21(17)22(20)41-24(36)26(38-2,28(32,33)34)19-11-7-4-8-12-19/h3-12,15-16,20,22H,13-14H2,1-2H3
InChIKey HRUMOAZYJMLQDZ-UHFFFAOYSA-N
Molecular Weight 586.483 g/mol
SMILES C(C(OC1c2c(cco2)CCC1OC(C(C(F)(F)F)(c1ccccc1)OC)=O)=O)(C(F)(F)F)(c1ccccc1)OC
SPLASH splash10-000i-0901000000-40e38fe55b734b465fe5
Source of Spectrum QC-4-1319-19
Wiley ID 883261