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syn-15-tert-Butyl-18-methoxy-2,11-dithia-5,6,7,9-tetrafluoro(3.3)metacyclophane
SpectraBase Compound ID FXRVrQoaO7a
InChI InChI=1S/C21H22F4OS2/c1-21(2,3)13-5-11-7-27-9-14-16(22)15(18(24)19(25)17(14)23)10-28-8-12(6-13)20(11)26-4/h5-6H,7-10H2,1-4H3
InChIKey ZTPUWTSQSLNXLF-UHFFFAOYSA-N
Mol Weight 430.52 g/mol
Molecular Formula C21H22F4OS2
Exact Mass 430.10482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ad8hPptuJh4
Name syn-15-tert-Butyl-18-methoxy-2,11-dithia-5,6,7,9-tetrafluoro(3.3)metacyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22F4OS2
InChI InChI=1S/C21H22F4OS2/c1-21(2,3)13-5-11-7-27-9-14-16(22)15(18(24)19(25)17(14)23)10-28-8-12(6-13)20(11)26-4/h5-6H,7-10H2,1-4H3
InChIKey ZTPUWTSQSLNXLF-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 430.520 g/mol
SMILES COc1c2cc(cc1CSCc1c(F)c(c(c(c1F)CSC2)F)F)C(C)(C)C
SPLASH splash10-05mo-9810400000-57b4cf7f537646094ab3
Source of Spectrum SRH-2022-11508-0
Wiley ID 1833092