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1H-Furo[3,4-c]pyrrole-4-carboxylic acid, hexahydro-4-(1-methylethyl)-1,3-dioxo-6-phenyl-, methyl ester, (3a.alpha.,4.beta.,6.beta.,6a.alp ha.)-(.+-.)-
SpectraBase Compound ID 5yELS14JuWq
InChI InChI=1S/C17H19NO5/c1-9(2)17(16(21)22-3)12-11(14(19)23-15(12)20)13(18-17)10-7-5-4-6-8-10/h4-9,11-13,18H,1-3H3
InChIKey PLUMFUUGDFCFJZ-UHFFFAOYSA-N
Mol Weight 317.34 g/mol
Molecular Formula C17H19NO5
Exact Mass 317.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlttOd9Slot
Name 1H-Furo[3,4-c]pyrrole-4-carboxylic acid, hexahydro-4-(1-methylethyl)-1,3-dioxo-6-phenyl-, methyl ester, (3a.alpha.,4.beta.,6.beta.,6a.alp ha.)-(.+-.)-
CAS Registry Number 113370-93-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO5
InChI InChI=1S/C17H19NO5/c1-9(2)17(16(21)22-3)12-11(14(19)23-15(12)20)13(18-17)10-7-5-4-6-8-10/h4-9,11-13,18H,1-3H3
InChIKey PLUMFUUGDFCFJZ-UHFFFAOYSA-N
Molecular Weight 317.341 g/mol
SMILES N1C(C2C(C1(C(=O)OC)C(C)C)C(OC2=O)=O)c1ccccc1
SPLASH splash10-00di-0090000000-0bd717a7c5f6da1a4175
Source of Spectrum KC-1987-2293-16
Synonyms Methyl 2-isopropyl-6,8-dioxo-4-phenyl-7-oxa-3-azabicyclo[3.3.0]octane-2-carboxylate methyl 4-isopropyl-1,3-dioxo-6-phenylhexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate
Wiley ID 1317670