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Methyl 6,6-dibromo-2.beta.-(bromomethyl)-2.alpha.-methylpenam-3.alpha.-carboxylate
SpectraBase Compound ID 7Mdy4RBGySe
InChI InChI=1S/C9H10Br3NO3S/c1-8(3-10)4(5(14)16-2)13-6(15)9(11,12)7(13)17-8/h4,7H,3H2,1-2H3/t4-,7+,8-/m0/s1
InChIKey ZALLCGNOFRWUSP-NETWJXFUSA-N
Mol Weight 451.96 g/mol
Molecular Formula C9H10Br3NO3S
Exact Mass 448.793153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmECWZzfGhS
Name Methyl 6,6-dibromo-2.beta.-(bromomethyl)-2.alpha.-methylpenam-3.alpha.-carboxylate
Alternate Name(s) Methyl (2S,3R,5R)-6,6-dibromo-3-(bromomethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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Formula C9H10Br3NO3S
InChI InChI=1S/C9H10Br3NO3S/c1-8(3-10)4(5(14)16-2)13-6(15)9(11,12)7(13)17-8/h4,7H,3H2,1-2H3/t4-,7+,8-/m0/s1
InChIKey ZALLCGNOFRWUSP-NETWJXFUSA-N
Molecular Weight 451.955 g/mol
SMILES [C@@]12(N([C@]([C@@](S2)(CBr)C)(C(=O)OC)[H])C(C1(Br)Br)=O)[H]
SPLASH splash10-0kg9-5907700000-d03eed00cd37a4857b08
Source of Spectrum F4-0-3401-20
Wiley ID 1620801