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(3S)-3-Bromoacetoxy-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxypyrrolidine-2,5-dione
SpectraBase Compound ID 7dvFvtUYGxP
InChI InChI=1S/C16H18BrNO6/c1-22-11-4-3-10(7-12(11)23-2)5-6-18-14(19)8-13(16(18)21)24-15(20)9-17/h3-4,7,13H,5-6,8-9H2,1-2H3/t13-/m0/s1
InChIKey ZBFGPZNCISWRSO-ZDUSSCGKSA-N
Mol Weight 400.23 g/mol
Molecular Formula C16H18BrNO6
Exact Mass 399.03175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsjwC8ojupY
Name (3S)-3-Bromoacetoxy-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxypyrrolidine-2,5-dione
Alternate Name(s) (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidinyl bromoacetate (3S)-3-Bromoacetoxy-1-[2-(3,4-dimethoxyphenyl)ethyl]-pyrrolidine-2,5-dione 2-Bromoacetic acid [(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-3-pyrrolidinyl] ester [(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl] 2-bromoacetate [(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-pyrrolidin-3-yl] 2-bromoacetate [(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl] 2-bromanylethanoate
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Formula C16H18BrNO6
InChI InChI=1S/C16H18BrNO6/c1-22-11-4-3-10(7-12(11)23-2)5-6-18-14(19)8-13(16(18)21)24-15(20)9-17/h3-4,7,13H,5-6,8-9H2,1-2H3/t13-/m0/s1
InChIKey ZBFGPZNCISWRSO-ZDUSSCGKSA-N
Molecular Weight 400.225 g/mol
SMILES C1(N(C(C[C@@]1(OC(=O)CBr)[H])=O)CCc1cc(OC)c(cc1)OC)=O
SPLASH splash10-0ik9-0900000000-cbf7ca01b2f6e5f33303
Source of Spectrum F-53-2453-6
Wiley ID 800764