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2-Methyl-1-ureido-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[b]pyrrole-3,13-dicarboxylic acid dimethyl ester
SpectraBase Compound ID k7w2HlHW8v
InChI InChI=1S/C20H31N3O5/c1-13-16(19(25)28-3)14-11-9-7-5-4-6-8-10-12-15(18(24)27-2)17(14)23(13)22-20(21)26/h15H,4-12H2,1-3H3,(H3,21,22,26)
InChIKey YXZVIZJZRNBZMG-UHFFFAOYSA-N
Mol Weight 393.48 g/mol
Molecular Formula C20H31N3O5
Exact Mass 393.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ln7TE9nIdJL
Name 2-Methyl-1-ureido-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[b]pyrrole-3,13-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 2-methyl-1-ureido-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[b]pyrrole-3,13-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31N3O5
InChI InChI=1S/C20H31N3O5/c1-13-16(19(25)28-3)14-11-9-7-5-4-6-8-10-12-15(18(24)27-2)17(14)23(13)22-20(21)26/h15H,4-12H2,1-3H3,(H3,21,22,26)
InChIKey YXZVIZJZRNBZMG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800097
Molecular Weight 393.484 g/mol
SMILES N(C(=O)N)[n]1c2c(c(c1C)C(=O)OC)CCCCCCCCCC2C(=O)OC
SPLASH splash10-00l6-1039000000-6cfc58e83ca2ad4e980e
Source of Spectrum ASC-350-1331/SM22-3ai
Wiley ID 1766351