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(2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester
SpectraBase Compound ID FhAfHRSRRd2
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+/m0/s1
InChIKey QBGIJYLQZSMCJB-KZLJYQGOSA-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 232jHpqEigo
Name (2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester
CAS Registry Number 34800-34-5
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+/m0/s1
InChIKey QBGIJYLQZSMCJB-KZLJYQGOSA-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-d3e5216dfccd2e2ed6e2
Source of Spectrum SB-30-381-0
Synonyms (2S,5R,6S)-6-bromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid methyl ester Methyl (2S,5R,6S)-6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Methyl (2S,5R,6S)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1296104