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Methyl (3.alpha.,3a.alpha.,6a.alpha.)-perhydro-2-methoxycarbonylmethylen-5-oxo-1-phenylcyclopenta[b]pyrrole-3-carboxylate

View entire compound with spectra: 2 MS (GC)

Methyl (3.alpha.,3a.alpha.,6a.alpha.)-perhydro-2-methoxycarbonylmethylen-5-oxo-1-phenylcyclopenta[b]pyrrole-3-carboxylate
SpectraBase Compound ID JOVneM7Lktv
InChI InChI=1S/C18H19NO5/c1-23-16(21)10-15-17(18(22)24-2)13-8-12(20)9-14(13)19(15)11-6-4-3-5-7-11/h3-7,10,13-14,17H,8-9H2,1-2H3/b15-10+/t13-,14+,17+/m0/s1
InChIKey QVFHHTRUHXNMGN-JEPJUMOZSA-N
Mol Weight 329.35 g/mol
Molecular Formula C18H19NO5
Exact Mass 329.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JX4mHeU4OgU
Name methyl (3.alpha.,3a.alpha.,6a.alpha.)-perhydro-2-methoxycarbonylmethylen-5-oxo-1-phenylcyclopenta[b]pyrrole-3-carboxylate
Alternate Name(s) methyl (2E,3R,3aR,6aR)-2-(2-methoxy-2-oxoethylidene)-5-oxo-1-phenyloctahydrocyclopenta[b]pyrrole-3-carboxylate
CAS Registry Number 118762-51-9
Comments Removed - expert review: solvent contamination (chloroform)); A corrected record has been addded having SpectrumID: 1718189
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Formula C18H19NO5
InChI InChI=1S/C18H19NO5/c1-23-16(21)10-15-17(18(22)24-2)13-8-12(20)9-14(13)19(15)11-6-4-3-5-7-11/h3-7,10,13-14,17H,8-9H2,1-2H3/b15-10+/t13-,14+,17+/m0/s1
InChIKey QVFHHTRUHXNMGN-JEPJUMOZSA-N
Molecular Weight 329.352 g/mol
SMILES [C@@]12(N(\C([C@@]([C@]1(CC(C2)=O)[H])(C(=O)OC)[H])=C/C(=O)OC)c1ccccc1)[H]
SPLASH splash10-001r-9010000000-0d302040ab66b0a83eb3
Source of Spectrum K-122-799-16
Wiley ID 1327105