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(1S,2R,5S)-6,6-dichloro-7-oxo-4-thiabicyclo[3.2.0]heptane-2-carbonyl chloride(Autogenerated)
SpectraBase Compound ID 2FZTt8nRn9P
InChI InChI=1S/C7H5Cl3O2S/c8-6(12)2-1-13-5-3(2)4(11)7(5,9)10/h2-3,5H,1H2/t2-,3-,5-/m0/s1
InChIKey ZXWFKNVUQPMWKY-FFKNPPMGSA-N
Mol Weight 259.53 g/mol
Molecular Formula C7H5Cl3O2S
Exact Mass 257.907584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9btZzTr3FSQ
Name (1S,2R,5S)-6,6-dichloro-7-oxo-4-thiabicyclo[3.2.0]heptane-2-carbonyl chloride(Autogenerated)
Appearance Yellow oil
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Exact Mass 257.907583673 u
Formula C7H5Cl3O2S
InChI InChI=1S/C7H5Cl3O2S/c8-6(12)2-1-13-5-3(2)4(11)7(5,9)10/h2-3,5H,1H2/t2-,3-,5-/m0/s1
InChIKey ZXWFKNVUQPMWKY-FFKNPPMGSA-N
Instrument Name JEOL HX110 Double Focusing mass spectrometer
Ionization Type EI
Literature Reference DOI 10.1002/chem.201705886
Quality 456
Reported Formula C7H5(35)Cl3O2S
SMILES C1([C@@]2([C@](C1=O)([C@](CS2)(C(=O)Cl)[H])[H])[H])(Cl)Cl
SPLASH splash10-000i-9420000000-6ef79989696455f79c9b
Source of Spectrum QE-24-SM4-S4 (DOI: 10.1002/chem.201705886)
Wiley ID 1901453