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Methyl 6,6-dibromo-2.beta.-(chloromethyl)-2.alpha.-methylpenam-3.alpha.-carboxylate
SpectraBase Compound ID By8Qzb8z6Nl
InChI InChI=1S/C9H10Br2ClNO3S/c1-8(3-12)4(5(14)16-2)13-6(15)9(10,11)7(13)17-8/h4,7H,3H2,1-2H3/t4-,7+,8-/m0/s1
InChIKey CLMVDZRAKHXXDC-NETWJXFUSA-N
Mol Weight 407.5 g/mol
Molecular Formula C9H10Br2ClNO3S
Exact Mass 404.843668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdCUDdTLvvC
Name Methyl 6,6-dibromo-2.beta.-(chloromethyl)-2.alpha.-methylpenam-3.alpha.-carboxylate
Alternate Name(s) Methyl (2S,3R,5R)-6,6-dibromo-3-(chloromethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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Formula C9H10Br2ClNO3S
InChI InChI=1S/C9H10Br2ClNO3S/c1-8(3-12)4(5(14)16-2)13-6(15)9(10,11)7(13)17-8/h4,7H,3H2,1-2H3/t4-,7+,8-/m0/s1
InChIKey CLMVDZRAKHXXDC-NETWJXFUSA-N
Molecular Weight 407.504 g/mol
SMILES [C@@]12(N([C@]([C@@](S2)(CCl)C)(C(=O)OC)[H])C(C1(Br)Br)=O)[H]
SPLASH splash10-0a4l-4290500000-bd513f4fc0092f64b4f2
Source of Spectrum F4-0-3401-17
Wiley ID 1620802