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4H-Furo[3,4-c]pyrrole-4,4-dicarboxylic acid, hexahydro-6-(4-nitrophenyl)-1,3-dioxo-, diethyl ester, (3a.alpha.,6.beta.,6a.alpha.)-
SpectraBase Compound ID LJuCkxykhdn
InChI InChI=1S/C18H18N2O9/c1-3-27-16(23)18(17(24)28-4-2)12-11(14(21)29-15(12)22)13(19-18)9-5-7-10(8-6-9)20(25)26/h5-8,11-13,19H,3-4H2,1-2H3/t11-,12-,13-/m1/s1
InChIKey ZFCIZQRJICLNGH-JHJVBQTASA-N
Mol Weight 406.35 g/mol
Molecular Formula C18H18N2O9
Exact Mass 406.10123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bfrxw7auqNX
Name 4H-Furo[3,4-c]pyrrole-4,4-dicarboxylic acid, hexahydro-6-(4-nitrophenyl)-1,3-dioxo-, diethyl ester, (3a.alpha.,6.beta.,6a.alpha.)-
Alternate Name(s) Diethyl (3aS,6S,6aR)-6-(4-nitrophenyl)-1,3-dioxohexahydro-4H-furo[3,4-c]pyrrole-4,4-dicarboxylate Diethyl 4-(4'-nitrophenyl)-3-aza-6,8-dioxo-7-oxabicyclo[3.3.0]octane-2,2-dicarboxylate
CAS Registry Number 125660-73-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O9
InChI InChI=1S/C18H18N2O9/c1-3-27-16(23)18(17(24)28-4-2)12-11(14(21)29-15(12)22)13(19-18)9-5-7-10(8-6-9)20(25)26/h5-8,11-13,19H,3-4H2,1-2H3/t11-,12-,13-/m1/s1
InChIKey ZFCIZQRJICLNGH-JHJVBQTASA-N
Molecular Weight 406.347 g/mol
SMILES N1[C@@]([C@]2([C@@](C1(C(=O)OCC)C(=O)OCC)(C(OC2=O)=O)[H])[H])(c1ccc(N(=O)=O)cc1)[H]
SPLASH splash10-001i-0129000000-02ed7f084089c2ff1b7e
Source of Spectrum F-45-4666-25
Wiley ID 1371977