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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-7-oxo-, methyl ester, [2R-(2.alpha.,5.beta.,6.beta.)]-
SpectraBase Compound ID F3QHifluj3r
InChI InChI=1S/C7H8BrNO3S/c1-12-7(11)3-2-13-6-4(8)5(10)9(3)6/h3-4,6H,2H2,1H3/t3-,4-,6+/m0/s1
InChIKey JOBZIMAOYOPYFY-RVJQKOHUSA-N
Mol Weight 266.11 g/mol
Molecular Formula C7H8BrNO3S
Exact Mass 264.940827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMvmhMYvYmC
Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-7-oxo-, methyl ester, [2R-(2.alpha.,5.beta.,6.beta.)]-
CAS Registry Number 60827-46-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8BrNO3S
InChI InChI=1S/C7H8BrNO3S/c1-12-7(11)3-2-13-6-4(8)5(10)9(3)6/h3-4,6H,2H2,1H3/t3-,4-,6+/m0/s1
InChIKey JOBZIMAOYOPYFY-RVJQKOHUSA-N
Molecular Weight 266.109 g/mol
SMILES C1(N2[C@@]([C@]1(Br)[H])(SC[C@]2(C(=O)OC)[H])[H])=O
SPLASH splash10-0zg1-2900000000-31bfee96e572bc885a92
Source of Spectrum SB-30-380-0
Synonyms (-)-Methyl 6 epi-6-bromobisnorpenicillanate Methyl (2R,5R,6S)-6-bromo-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1268692