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5-Bromo-2,11-dithia-[3.3]metacyclophane
SpectraBase Compound ID 2VoeNYU01eP
InChI InChI=1S/C16H15BrS2/c17-16-5-4-14-7-15(16)11-19-9-13-3-1-2-12(6-13)8-18-10-14/h1-7H,8-11H2
InChIKey FRQQYUIVNSOHQJ-UHFFFAOYSA-N
Mol Weight 351.32 g/mol
Molecular Formula C16H15BrS2
Exact Mass 349.979856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QItRfXMqRe
Name 5-Bromo-2,11-dithia-[3.3]metacyclophane
Alternate Name(s) 6-Bromo-3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene
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Formula C16H15BrS2
InChI InChI=1S/C16H15BrS2/c17-16-5-4-14-7-15(16)11-19-9-13-3-1-2-12(6-13)8-18-10-14/h1-7H,8-11H2
InChIKey FRQQYUIVNSOHQJ-UHFFFAOYSA-N
Molecular Weight 351.320 g/mol
SMILES c12c(ccc(c2)CSCc2cc(CSC1)ccc2)Br
SPLASH splash10-0zfr-0829000000-981a9e8eb9c0ecf5f05e
Source of Spectrum K-130-1108-3
Wiley ID 1341745