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5,17-bis(trifluoromethanesulfonyloxy)-8,14-dithia-1-azapentacyclo[11.7.1.0(2,7).0(9,21).0(15,20)]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl trifluoromethanesulfonate

View entire compound with spectra: 1 MS (GC)

5,17-bis(trifluoromethanesulfonyloxy)-8,14-dithia-1-azapentacyclo[11.7.1.0(2,7).0(9,21).0(15,20)]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl trifluoromethanesulfonate
SpectraBase Compound ID 3tFWRlY7lLp
InChI InChI=1S/C21H8F9NO9S5/c22-19(23,24)43(32,33)38-9-1-3-12-14(5-9)41-16-7-11(40-45(36,37)21(28,29)30)8-17-18(16)31(12)13-4-2-10(6-15(13)42-17)39-44(34,35)20(25,26)27/h1-8H
InChIKey UISVUNGECGKQFD-UHFFFAOYSA-N
Mol Weight 749.6 g/mol
Molecular Formula C21H8F9NO9S5
Exact Mass 748.86589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5jwalPitEA
Name 5,17-bis(trifluoromethanesulfonyloxy)-8,14-dithia-1-azapentacyclo[11.7.1.0(2,7).0(9,21).0(15,20)]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl trifluoromethanesulfonate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H8F9NO9S5
InChI InChI=1S/C21H8F9NO9S5/c22-19(23,24)43(32,33)38-9-1-3-12-14(5-9)41-16-7-11(40-45(36,37)21(28,29)30)8-17-18(16)31(12)13-4-2-10(6-15(13)42-17)39-44(34,35)20(25,26)27/h1-8H
InChIKey UISVUNGECGKQFD-UHFFFAOYSA-N
Instrument Name QMD 100 Carlo Erba
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801493
Molecular Weight 749.579 g/mol
SMILES c1(cc2c3c(c1)Sc1c(N3c3c(S2)cc(cc3)OS(=O)(C(F)(F)F)=O)ccc(c1)OS(C(F)(F)F)(=O)=O)OS(C(F)(F)F)(=O)=O
SPLASH splash10-014i-5004609300-75d14e32d0767c954d07
Source of Spectrum U1-2019-173-3o
Wiley ID 1843591