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(1'R,2S)-2-(4-Bromobenzoyloxy)-N-(1'-methoxy-2'-methylpropyl)-3-phenylpropanamide
SpectraBase Compound ID D3p46Tmphu6
InChI InChI=1S/C21H24BrNO4/c1-14(2)20(26-3)23-19(24)18(13-15-7-5-4-6-8-15)27-21(25)16-9-11-17(22)12-10-16/h4-12,14,18,20H,13H2,1-3H3,(H,23,24)/t18-,20+/m0/s1
InChIKey WMVGICSIFDZOQM-AZUAARDMSA-N
Mol Weight 434.33 g/mol
Molecular Formula C21H24BrNO4
Exact Mass 433.088871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tJ1BhH2A4
Name (1'R,2S)-2-(4-Bromobenzoyloxy)-N-(1'-methoxy-2'-methylpropyl)-3-phenylpropanamide
Alternate Name(s) (1'R,2S)-2-(4-Bromobenzyloxy)-N-(1'-methoxy-2'-methylpropyl)-3-phenylpropanamide (1S)-1-benzyl-2-{[(1R)-1-methoxy-2-methylpropyl]amino}-2-oxoethyl 4-bromobenzoate 4-Bromobenzoic acid [(2S)-1-[[(1R)-1-methoxy-2-methylpropyl]amino]-1-oxo-3-phenylpropan-2-yl] ester [(2S)-1-[[(1R)-1-methoxy-2-methylpropyl]amino]-1-oxo-3-phenylpropan-2-yl] 4-bromobenzoate [(1S)-1-benzyl-2-[[(1R)-1-methoxy-2-methyl-propyl]amino]-2-oxo-ethyl] 4-bromobenzoate [(2S)-1-[[(1R)-1-methoxy-2-methyl-propyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl] 4-bromanylbenzoate
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Formula C21H24BrNO4
InChI InChI=1S/C21H24BrNO4/c1-14(2)20(26-3)23-19(24)18(13-15-7-5-4-6-8-15)27-21(25)16-9-11-17(22)12-10-16/h4-12,14,18,20H,13H2,1-3H3,(H,23,24)/t18-,20+/m0/s1
InChIKey WMVGICSIFDZOQM-AZUAARDMSA-N
Molecular Weight 434.330 g/mol
SMILES N(C([C@@](OC(c1ccc(cc1)Br)=O)(Cc1ccccc1)[H])=O)[C@@](C(C)C)(OC)[H]
SPLASH splash10-0019-0900000000-16123f8c90a737712cda
Source of Spectrum KC-0-1652-12
Wiley ID 822513