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18-Bromo-3,10-dithia-tricyclo[12.2.2.2*5,8*]icosa-1(17),5(20),6,8(19),14(18),15-hexaene 3,3,10,10-tetraoxide
SpectraBase Compound ID 9XEj0T2XuyB
InChI InChI=1S/C18H19BrO4S2/c19-18-10-16-7-8-17(18)2-1-9-24(20,21)11-14-3-5-15(6-4-14)12-25(22,23)13-16/h3-8,10H,1-2,9,11-13H2
InChIKey GRNOUZMGEHSSJW-UHFFFAOYSA-N
Mol Weight 443.37 g/mol
Molecular Formula C18H19BrO4S2
Exact Mass 441.990814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KI7eboNAXip
Name 18-Bromo-3,10-dithia-tricyclo[12.2.2.2*5,8*]icosa-1(17),5(20),6,8(19),14(18),15-hexaene 3,3,10,10-tetraoxide
Alternate Name(s) 7-Bromo-2,13-dithia[5.3]paracyclophane 2,2,13,13-Tetraoxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19BrO4S2
InChI InChI=1S/C18H19BrO4S2/c19-18-10-16-7-8-17(18)2-1-9-24(20,21)11-14-3-5-15(6-4-14)12-25(22,23)13-16/h3-8,10H,1-2,9,11-13H2
InChIKey GRNOUZMGEHSSJW-UHFFFAOYSA-N
Molecular Weight 443.370 g/mol
SMILES C1S(=O)(=O)Cc2ccc(CS(CCCc3c(cc1cc3)Br)(=O)=O)cc2
SPLASH splash10-0ue9-0912000000-58554cf564a3f5153bd8
Source of Spectrum U1-2009-233-24b
Wiley ID 1662393