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1H-Furo[3,4-c]pyrrole-4-carboxylic acid, hexahydro-1,3-dioxo-4,6-diphenyl-, methyl ester, (3a.alpha.,4.beta.,6.beta.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID K8Q1iZK4Sh8
InChI InChI=1S/C20H17NO5/c1-25-19(24)20(13-10-6-3-7-11-13)15-14(17(22)26-18(15)23)16(21-20)12-8-4-2-5-9-12/h2-11,14-16,21H,1H3/t14-,15-,16-,20-/m1/s1
InChIKey VUMMDTRSMCOTIB-AXHMDWHKSA-N
Mol Weight 351.36 g/mol
Molecular Formula C20H17NO5
Exact Mass 351.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmA69Xnk019
Name 1H-Furo[3,4-c]pyrrole-4-carboxylic acid, hexahydro-1,3-dioxo-4,6-diphenyl-, methyl ester, (3a.alpha.,4.beta.,6.beta.,6a.alpha.)-(.+-.)-
Alternate Name(s) methyl (3aS,4S,6S,6aR)-1,3-dioxo-4,6-diphenylhexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate Methyl 6,8-dioxo-2,c-4-diphenyl-7-oxa-3-azabicyclo[3.3.0]octane-r-carboxylate
CAS Registry Number 113430-24-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO5
InChI InChI=1S/C20H17NO5/c1-25-19(24)20(13-10-6-3-7-11-13)15-14(17(22)26-18(15)23)16(21-20)12-8-4-2-5-9-12/h2-11,14-16,21H,1H3/t14-,15-,16-,20-/m1/s1
InChIKey VUMMDTRSMCOTIB-AXHMDWHKSA-N
Molecular Weight 351.358 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@@]1(C(=O)OC)c1ccccc1)(C(OC2=O)=O)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0006-0090000000-d8e684f8306b777d8295
Source of Spectrum KC-1987-2293-16
Wiley ID 1342639