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Ethyl 1-benzyl-7a-methoxy-2,5-dioxo-2,3,3a,4,5,7a-hexahydro-1H-indole-3-carboxylate
SpectraBase Compound ID jVsmxSjauA
InChI InChI=1S/C19H21NO5/c1-3-25-18(23)16-15-11-14(21)9-10-19(15,24-2)20(17(16)22)12-13-7-5-4-6-8-13/h4-10,15-16H,3,11-12H2,1-2H3/t15-,16+,19+/m0/s1
InChIKey QTMZWPUBQRXGMP-FRQCXROJSA-N
Mol Weight 343.38 g/mol
Molecular Formula C19H21NO5
Exact Mass 343.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vtRz2wYv32
Name Ethyl 1-benzyl-7a-methoxy-2,5-dioxo-2,3,3a,4,5,7a-hexahydro-1H-indole-3-carboxylate
Alternate Name(s) (3R,3aS,7aR)-ethyl 1-benzyl-7a-methoxy-2,5-dioxo-2,3,3a,4,5,7a-hexahydro-1H-indole-3-carboxylate
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Formula C19H21NO5
InChI InChI=1S/C19H21NO5/c1-3-25-18(23)16-15-11-14(21)9-10-19(15,24-2)20(17(16)22)12-13-7-5-4-6-8-13/h4-10,15-16H,3,11-12H2,1-2H3/t15-,16+,19+/m0/s1
InChIKey QTMZWPUBQRXGMP-FRQCXROJSA-N
Literature Reference DOI 10.1021/ol901005x
Molecular Weight 343.379 g/mol
SMILES c1ccc(CN2C(=O)[C@](C(=O)OCC)([C@@]3(CC(C=C[C@]23OC)=O)[H])[H])cc1
SPLASH splash10-05tg-4951000000-5fc43aaec3d1473bbca5
Source of Spectrum A1-11-2820/SM11-2a
Wiley ID 1756915