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2-Bromo-5-thiabicyclo[2.1.1]hexane

View entire compound with spectra: 1 MS (GC)

2-Bromo-5-thiabicyclo[2.1.1]hexane
SpectraBase Compound ID 14AcVDuTsti
InChI InChI=1S/C5H7BrS/c6-4-1-3-2-5(4)7-3/h3-5H,1-2H2/t3-,4+,5-/m1/s1
InChIKey IBADFWOKSOFICZ-MROZADKFSA-N
Mol Weight 179.07 g/mol
Molecular Formula C5H7BrS
Exact Mass 177.945184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35tXDHgTZo
Name 2-Bromo-5-thiabicyclo[2.1.1]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7BrS
InChI InChI=1S/C5H7BrS/c6-4-1-3-2-5(4)7-3/h3-5H,1-2H2/t3-,4+,5-/m1/s1
InChIKey IBADFWOKSOFICZ-MROZADKFSA-N
Literature Reference DOI 10.1002/hc.520040106
Molecular Weight 179.075 g/mol
SMILES C1[C@@]2(S[C@]1([C@](C2)(Br)[H])[H])[H]
SPLASH splash10-014j-9100000000-64ea791d5e0d84865d53
Source of Spectrum HAC-4-36-9
Synonyms (1S,4R)-2-bromo-5-thiabicyclo[2.1.1]hexane
Wiley ID 1799474