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(3S,8aS)-3-Bromomethyl-3-methyl-1,4-dioxo-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SpectraBase Compound ID Lepzwwq9KGm
InChI InChI=1S/C9H12BrNO3/c1-9(5-10)8(13)11-4-2-3-6(11)7(12)14-9/h6H,2-5H2,1H3/t6-,9+/m0/s1
InChIKey YCJBMGQHPACRHJ-IMTBSYHQSA-N
Mol Weight 262.1 g/mol
Molecular Formula C9H12BrNO3
Exact Mass 261.000056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqRcb7A91x6
Name (3S,8aS)-3-Bromomethyl-3-methyl-1,4-dioxo-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
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Formula C9H12BrNO3
InChI InChI=1S/C9H12BrNO3/c1-9(5-10)8(13)11-4-2-3-6(11)7(12)14-9/h6H,2-5H2,1H3/t6-,9+/m0/s1
InChIKey YCJBMGQHPACRHJ-IMTBSYHQSA-N
Molecular Weight 262.103 g/mol
SMILES C1(N2[C@](CCC2)([H])C(O[C@@]1(CBr)C)=O)=O
SPLASH splash10-00ei-8900000000-275680bac1d5b4d37016
Source of Spectrum KC-0-60-23
Synonyms (3S,8aS)-3-(bromomethyl)-3-methyltetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine-1,4(3H)-dione (3S,8aS)-3-(bromomethyl)-3-methyl-6,7,8,8a-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,4-dione
Wiley ID 820671