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(4aR,8aR)-7-keto-4a-(pyrrolidine-1-carbonyl)-3,4,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester
SpectraBase Compound ID Gvkg8qXOtIG
InChI InChI=1S/C17H24N2O4/c1-2-23-16(22)19-10-7-17(15(21)18-8-3-4-9-18)6-5-14(20)11-13(17)12-19/h5-6,13H,2-4,7-12H2,1H3/t13-,17-/m0/s1
InChIKey QQVBCEZPYUOZGR-GUYCJALGSA-N
Mol Weight 320.39 g/mol
Molecular Formula C17H24N2O4
Exact Mass 320.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fb8VutHacBq
Name (4aR,8aR)-7-keto-4a-(pyrrolidine-1-carbonyl)-3,4,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester
Alternate Name(s) (4aR,8aR)-7-oxo-4a-[oxo(1-pyrrolidinyl)methyl]-3,4,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester Ethyl (4aR,8aR)-7-oxidanylidene-4a-pyrrolidin-1-ylcarbonyl-3,4,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate Ethyl (4aR,8aR)-7-oxo-4a-(pyrrolidine-1-carbonyl)-3,4,8,8a-tetrahydro-1H-isoquinoline-2-carboxylate
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Formula C17H24N2O4
InChI InChI=1S/C17H24N2O4/c1-2-23-16(22)19-10-7-17(15(21)18-8-3-4-9-18)6-5-14(20)11-13(17)12-19/h5-6,13H,2-4,7-12H2,1H3/t13-,17-/m0/s1
InChIKey QQVBCEZPYUOZGR-GUYCJALGSA-N
Molecular Weight 320.389 g/mol
SMILES [C@]12(C(N3CCCC3)=O)[C@](CN(CC1)C(=O)OCC)(CC(C=C2)=O)[H]
SPLASH splash10-006x-0932000000-67a2942e174bfd37ee50
Source of Spectrum J-57-6047-42
Wiley ID 1320050