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1H-Furo[3,4-c]pyrrole-4-carboxylic acid, 3,3a,4,6a-tetrahydro-1,3-dioxo-6-phenyl-4-(phenylmethyl)-, methyl ester, (3a.alpha.,4.beta.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID 3dLpr4ls1a1
InChI InChI=1S/C21H17NO5/c1-26-20(25)21(12-13-8-4-2-5-9-13)16-15(18(23)27-19(16)24)17(22-21)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3/t15-,16-,21-/m1/s1
InChIKey YBYIXHVNQDIXDJ-WHSLLNHNSA-N
Mol Weight 363.37 g/mol
Molecular Formula C21H17NO5
Exact Mass 363.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOqhsWCqTkh
Name 1H-Furo[3,4-c]pyrrole-4-carboxylic acid, 3,3a,4,6a-tetrahydro-1,3-dioxo-6-phenyl-4-(phenylmethyl)-, methyl ester, (3a.alpha.,4.beta.,6a.alpha.)-(.+-.)-
CAS Registry Number 113371-25-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO5
InChI InChI=1S/C21H17NO5/c1-26-20(25)21(12-13-8-4-2-5-9-13)16-15(18(23)27-19(16)24)17(22-21)14-10-6-3-7-11-14/h2-11,15-16H,12H2,1H3/t15-,16-,21-/m1/s1
InChIKey YBYIXHVNQDIXDJ-WHSLLNHNSA-N
Molecular Weight 363.369 g/mol
SMILES [C@@]12([C@](C(c3ccccc3)=N[C@]1(C(=O)OC)Cc1ccccc1)(C(=O)OC2=O)[H])[H]
SPLASH splash10-0ik9-0009000000-4376c7e64380c7d8821c
Source of Spectrum KC-1987-2295-33
Synonyms methyl (3aS,4R,6aR)-4-benzyl-1,3-dioxo-6-phenyl-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]pyrrole-4-carboxylate Methyl 2-benzyl-6,8-dioxo-40phenyl-7-oxa-3-azabicyclo[3.3.0]oct-3-ene-2-carboxylate
Wiley ID 1350280