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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, methyl ester, (2.alpha.,5.alpha.,6.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, methyl ester, (2.alpha.,5.alpha.,6.alpha.)-(.+-.)-
SpectraBase Compound ID DQeu4LDvjQj
InChI InChI=1S/C9H12BrNO3S/c1-9(2)5(8(13)14-3)11-6(12)4(10)7(11)15-9/h4-5,7H,1-3H3/t4-,5-,7+/m1/s1
InChIKey QBGIJYLQZSMCJB-XAHCXIQSSA-N
Mol Weight 294.16 g/mol
Molecular Formula C9H12BrNO3S
Exact Mass 292.972127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVwv1wMr9I4
Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, methyl ester, (2.alpha.,5.alpha.,6.alpha.)-(.+-.)-
CAS Registry Number 60498-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12BrNO3S
InChI InChI=1S/C9H12BrNO3S/c1-9(2)5(8(13)14-3)11-6(12)4(10)7(11)15-9/h4-5,7H,1-3H3/t4-,5-,7+/m1/s1
InChIKey QBGIJYLQZSMCJB-XAHCXIQSSA-N
Molecular Weight 294.163 g/mol
SMILES [C@]12(N([C@@](C(S2)(C)C)(C(=O)OC)[H])C([C@]1(Br)[H])=O)[H]
SPLASH splash10-00di-0920000000-7fab10ad4de199f461e3
Source of Spectrum SB-30-380-0
Synonyms (+,-)-Methyl 6 epi-6-bromopenicillanate Methyl (2R,5S,6R)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1296105