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1H-Furo[3,4-c]pyrrole-4-carboxylic acid, 6-(1,1-dimethylethyl)hexahydro-1,3-dioxo-4-phenyl-, methyl ester, (3a.alpha.,4.beta.,6.beta.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID Jd7JMdmFznj
InChI InChI=1S/C18H21NO5/c1-17(2,3)13-11-12(15(21)24-14(11)20)18(19-13,16(22)23-4)10-8-6-5-7-9-10/h5-9,11-13,19H,1-4H3/t11-,12-,13+,18-/m1/s1
InChIKey RATLEQLTBOVPKY-ZIVKBKJYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8LMCP4NMQS
Name 1H-Furo[3,4-c]pyrrole-4-carboxylic acid, 6-(1,1-dimethylethyl)hexahydro-1,3-dioxo-4-phenyl-, methyl ester, (3a.alpha.,4.beta.,6.beta.,6a.alpha.)-(.+-.)-
CAS Registry Number 113371-12-3
Comments Less than 3 mono-isotopic peaks
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Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-17(2,3)13-11-12(15(21)24-14(11)20)18(19-13,16(22)23-4)10-8-6-5-7-9-10/h5-9,11-13,19H,1-4H3/t11-,12-,13+,18-/m1/s1
InChIKey RATLEQLTBOVPKY-ZIVKBKJYSA-N
Molecular Weight 331.368 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@@]1(C(=O)OC)c1ccccc1)(C(OC2=O)=O)[H])[H])(C(C)(C)C)[H]
SPLASH splash10-00di-0090000000-6684f257686107b207d0
Source of Spectrum KC-1987-2294-16
Synonyms methyl (3aS,4S,6S,6aR)-6-tert-butyl-1,3-dioxo-4-phenylhexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate Methyl 6,8-dioxo-2-phenyl-c-4-t-butyl-7-oxa-3-azabicyclo[3.3.0]octane-r-2-carboxylate
Wiley ID 1328704