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(3S,4R,7R,8S,8aR)-1-oxo-4-phenyl-3-propan-2-yl-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-7,8-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 4AindjBISei
InChI InChI=1S/C20H25NO6/c1-11(2)17-15(12-8-6-5-7-9-12)21-10-13(18(22)25-3)14(19(23)26-4)16(21)20(24)27-17/h5-9,11,13-17H,10H2,1-4H3/t13-,14-,15+,16+,17-/m0/s1
InChIKey XTHQMAPOYNSTCF-SIRPWMCASA-N
Mol Weight 375.42 g/mol
Molecular Formula C20H25NO6
Exact Mass 375.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4luJBuefoka
Name (3S,4R,7R,8S,8aR)-1-oxo-4-phenyl-3-propan-2-yl-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-7,8-dicarboxylic acid dimethyl ester
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Formula C20H25NO6
InChI InChI=1S/C20H25NO6/c1-11(2)17-15(12-8-6-5-7-9-12)21-10-13(18(22)25-3)14(19(23)26-4)16(21)20(24)27-17/h5-9,11,13-17H,10H2,1-4H3/t13-,14-,15+,16+,17-/m0/s1
InChIKey XTHQMAPOYNSTCF-SIRPWMCASA-N
Molecular Weight 375.421 g/mol
SMILES [C@@]12(N(C[C@@]([C@@]2(C(=O)OC)[H])(C(=O)OC)[H])[C@@]([C@@](OC1=O)(C(C)C)[H])(c1ccccc1)[H])[H]
SPLASH splash10-015d-4961000000-be69ba2373bf2acf8692
Source of Spectrum K1-2001-3139-16
Synonyms (3S,4R,7R,8S,8aR)-3-isopropyl-1-keto-4-phenyl-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-7,8-dicarboxylic acid dimethyl ester Dimethyl (3S,4R,7R,8S,8aR)-1-oxidanylidene-4-phenyl-3-propan-2-yl-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-7,8-dicarboxylate Dimethyl (3S,4R,7R,8S,8aR)-1-oxo-4-phenyl-3-propan-2-yl-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-7,8-dicarboxylate Dimethyl (3S,4R,7R,8S,8aR)-3-isopropyl-1-oxo-4-phenyl-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-7,8-dicarboxylate
Wiley ID 814069