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1H-Furo[3,4-c]pyrrole-4-carboxylic acid, hexahydro-4-methyl-1,3-dioxo-6-(3-pyridinyl)-, methyl ester, (3a.alpha.,4.beta.,6.beta.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID CBnrRerHxxs
InChI InChI=1S/C14H14N2O5/c1-14(13(19)20-2)9-8(11(17)21-12(9)18)10(16-14)7-4-3-5-15-6-7/h3-6,8-10,16H,1-2H3/t8-,9-,10-,14-/m1/s1
InChIKey KHRSMUNPEDAMKB-NZHONMPCSA-N
Mol Weight 290.27 g/mol
Molecular Formula C14H14N2O5
Exact Mass 290.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LDpcmls7fd
Name 1H-Furo[3,4-c]pyrrole-4-carboxylic acid, hexahydro-4-methyl-1,3-dioxo-6-(3-pyridinyl)-, methyl ester, (3a.alpha.,4.beta.,6.beta.,6a.alpha.)-(.+-.)-
CAS Registry Number 113370-85-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O5
InChI InChI=1S/C14H14N2O5/c1-14(13(19)20-2)9-8(11(17)21-12(9)18)10(16-14)7-4-3-5-15-6-7/h3-6,8-10,16H,1-2H3/t8-,9-,10-,14-/m1/s1
InChIKey KHRSMUNPEDAMKB-NZHONMPCSA-N
Molecular Weight 290.275 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@@]1(C(=O)OC)C)(C(OC2=O)=O)[H])[H])(c1cnccc1)[H]
SPLASH splash10-001i-0090000000-1348d993bc0e077fabc9
Source of Spectrum KC-1987-2292-16
Synonyms methyl (3aS,4R,6S,6aR)-4-methyl-1,3-dioxo-6-(3-pyridinyl)hexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate Methyl 2-methyl-6,8-dioxo-4-(3-pyridyl)-7-oxa-3-azabicyclo[3.3.0]octane-2-carboxylate
Wiley ID 1293308