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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 77OKSWtIbZb
Name 5-Bromo-2,11-dithia[3.3]metacyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/cber.19971300812
Molecular Weight 351.320 g/mol
SMILES C1SCc2cc(CSCc3cccc1c3)ccc2Br
SPLASH splash10-0pi9-0923000000-96f42a093ee8c4117dd2
Source of Spectrum K-130-1108-3
Synonyms 1(4)-bromo-3,7-dithia-1,5(1,3)-dibenzenacyclooctaphane
Wiley ID 1790578