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5,7,15,17-Tetrahydroxy-8,18-bis(trifluoroacetyl)-5,15-bis(trifluoromethyl)-1,4,11,14-tetraoxa[5.5]metacyclophane
SpectraBase Compound ID BklMgQwhbgQ
InChI InChI=1S/C24H16F12O10/c25-21(26,27)17(39)11-5-9-7-13(15(11)37)20(42,24(34,35)36)46-4-2-44-10-6-12(18(40)22(28,29)30)16(38)14(8-10)19(41,23(31,32)33)45-3-1-43-9/h5-8,37-38,41-42H,1-4H2
InChIKey ISPVNOYIHPFDQJ-UHFFFAOYSA-N
Mol Weight 692.36 g/mol
Molecular Formula C24H16F12O10
Exact Mass 692.055185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jMZqTfS3Wt
Name 5,7,15,17-Tetrahydroxy-8,18-bis(trifluoroacetyl)-5,15-bis(trifluoromethyl)-1,4,11,14-tetraoxa[5.5]metacyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16F12O10
InChI InChI=1S/C24H16F12O10/c25-21(26,27)17(39)11-5-9-7-13(15(11)37)20(42,24(34,35)36)46-4-2-44-10-6-12(18(40)22(28,29)30)16(38)14(8-10)19(41,23(31,32)33)45-3-1-43-9/h5-8,37-38,41-42H,1-4H2
InChIKey ISPVNOYIHPFDQJ-UHFFFAOYSA-N
Molecular Weight 692.363 g/mol
SMILES Oc1c2C(OCCOc3cc(c(c(C(OCCOc(cc1C(C(F)(F)F)=O)c2)(C(F)(F)F)O)c3)O)C(C(F)(F)F)=O)(C(F)(F)F)O
SPLASH splash10-001j-1094000000-244807dbc690b077f306
Source of Spectrum F4-40-1876-8
Wiley ID 1670769