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Dimethyl 2-methyl-c-5-[1'-(1"-methoxycarbonyl-2"-oxocycloheptyl)ethyl]pyrrolidine-s-2,c-4-dicarboxylate
SpectraBase Compound ID A71Iou6k7JW
InChI InChI=1S/C20H31NO7/c1-19(17(24)27-3)12-13(16(23)26-2)14(21-19)9-11-20(18(25)28-4)10-7-5-6-8-15(20)22/h13-14,21H,5-12H2,1-4H3/t13-,14-,19-,20?/m0/s1
InChIKey UWMNRKFWODJHEH-NRFVGKODSA-N
Mol Weight 397.47 g/mol
Molecular Formula C20H31NO7
Exact Mass 397.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52oFSy7WhZ1
Name Dimethyl 2-methyl-c-5-[1'-(1"-methoxycarbonyl-2"-oxocycloheptyl)ethyl]pyrrolidine-s-2,c-4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO7
InChI InChI=1S/C20H31NO7/c1-19(17(24)27-3)12-13(16(23)26-2)14(21-19)9-11-20(18(25)28-4)10-7-5-6-8-15(20)22/h13-14,21H,5-12H2,1-4H3/t13-,14-,19-,20?/m0/s1
InChIKey UWMNRKFWODJHEH-NRFVGKODSA-N
Molecular Weight 397.468 g/mol
SMILES N1[C@]([C@](C[C@]1(C(=O)OC)C)(C(=O)OC)[H])(CCC1(C(=O)OC)C(=O)CCCCC1)[H]
SPLASH splash10-000i-5139000000-2afb4dd975cfd64a3e26
Source of Spectrum F-55-1773-12
Synonyms (2S,4S,5S)-Dimethyl 2-methyl-5-[2'-(1''-methoxycarbonyl-2''-oxocycloheptyl)ethyl]pyrrolidine-2,4-dicarboxylate Dimethyl (2S,4S,5S)-5-{(1R)-1-[1-(methoxycarbonyl)-2-oxocycloheptyl]ethyl}-2-methyl-2,4-pyrrolidinedicarboxylate Dimethyl 2-methyl-c-5-[1'-(1''-methoxycarbonyl-2''-oxocycloheptyl)ethyl]pyrrolidine-r-2,c-4-dicarboxylate
Wiley ID 836719