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4-Thia-1-azabicyclo[3.2.0]heptan-7-one, 6,6-dibromo-2-(hydroxymethyl)-3,3-dimethyl-, (2S-cis)-
SpectraBase Compound ID L9saj3z2p8u
InChI InChI=1S/C8H11Br2NO2S/c1-7(2)4(3-12)11-5(13)8(9,10)6(11)14-7/h4,6,12H,3H2,1-2H3/t4-,6+/m0/s1
InChIKey DXMSEYXCFOUKAS-UJURSFKZSA-N
Mol Weight 345.05 g/mol
Molecular Formula C8H11Br2NO2S
Exact Mass 342.887726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Hv4EthSYuS
Name 4-Thia-1-azabicyclo[3.2.0]heptan-7-one, 6,6-dibromo-2-(hydroxymethyl)-3,3-dimethyl-, (2S-cis)-
CAS Registry Number 116114-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11Br2NO2S
InChI InChI=1S/C8H11Br2NO2S/c1-7(2)4(3-12)11-5(13)8(9,10)6(11)14-7/h4,6,12H,3H2,1-2H3/t4-,6+/m0/s1
InChIKey DXMSEYXCFOUKAS-UJURSFKZSA-N
Molecular Weight 345.049 g/mol
SMILES OC[C@@]1(N2[C@@](SC1(C)C)([H])C(C2=O)(Br)Br)[H]
SPLASH splash10-03dr-6391000000-548b3c08f6e1f4339104
Source of Spectrum KC-1988-1553-4
Synonyms (2S,5R)-6,6-dibromo-2-(hydroxymethyl)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one 6,6-Dibromo-3.alph.-hydroxymethyl-2,2-dimethylpenam
Wiley ID 1337098