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2-[2-(3-Bromo-(S)-1-hydroxybut-3-enyl)-3-methoxy-(2S,3R)-4-oxoazetidin-1-yl]acrylic acid methyl ester
SpectraBase Compound ID 4eHZyd8qBJh
InChI InChI=1S/C12H16BrNO5/c1-6(13)5-8(15)9-10(18-3)11(16)14(9)7(2)12(17)19-4/h8-10,15H,1-2,5H2,3-4H3/t8-,9-,10+/m0/s1
InChIKey WYKYPPLNJPOPJH-LPEHRKFASA-N
Mol Weight 334.17 g/mol
Molecular Formula C12H16BrNO5
Exact Mass 333.021186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9eiDEIOzPH
Name 2-[2-(3-Bromo-(S)-1-hydroxybut-3-enyl)-3-methoxy-(2S,3R)-4-oxoazetidin-1-yl]acrylic acid methyl ester
Alternate Name(s) methyl 2-{(2S,3R)-2-[(1S)-3-bromo-1-hydroxy-3-butenyl]-3-methoxy-4-oxoazetidinyl}acrylate
Comments Less than 3 mono-isotopic peaks
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Formula C12H16BrNO5
InChI InChI=1S/C12H16BrNO5/c1-6(13)5-8(15)9-10(18-3)11(16)14(9)7(2)12(17)19-4/h8-10,15H,1-2,5H2,3-4H3/t8-,9-,10+/m0/s1
InChIKey WYKYPPLNJPOPJH-LPEHRKFASA-N
Molecular Weight 334.166 g/mol
SMILES O[C@]([C@@]1(N(C(=O)[C@@]1(OC)[H])C(C(=O)OC)=C)[H])(CC(=C)Br)[H]
SPLASH splash10-001r-0009000000-3fffef2d47d23307b252
Source of Spectrum F4-0-2337-2
Wiley ID 1618535