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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 3-ethyl ester 13-methyl ester

View entire compound with spectra: 1 MS (GC)

2-Methyl-1-ureido-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[b]pyrrole-3,13-dicarboxylic acid 3-ethyl ester 13-methyl ester
SpectraBase Compound ID Ht3ltUvLUgo
InChI InChI=1S/C21H33N3O5/c1-4-29-20(26)17-14(2)24(23-21(22)27)18-15(17)12-10-8-6-5-7-9-11-13-16(18)19(25)28-3/h16H,4-13H2,1-3H3,(H3,22,23,27)
InChIKey DUSYKWAQHMVASI-UHFFFAOYSA-N
Mol Weight 407.5 g/mol
Molecular Formula C21H33N3O5
Exact Mass 407.242021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzBLe2Oq9ge
Name 2-Methyl-1-ureido-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[b]pyrrole-3,13-dicarboxylic acid 3-ethyl ester 13-methyl ester
Alternate Name(s) 3-Ethyl 13-methyl 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 C21H33N3O5
InChI InChI=1S/C21H33N3O5/c1-4-29-20(26)17-14(2)24(23-21(22)27)18-15(17)12-10-8-6-5-7-9-11-13-16(18)19(25)28-3/h16H,4-13H2,1-3H3,(H3,22,23,27)
InChIKey DUSYKWAQHMVASI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800097
Molecular Weight 407.511 g/mol
SMILES N(C(=O)N)[n]1c2c(c(c1C)C(=O)OCC)CCCCCCCCCC2C(=O)OC
SPLASH splash10-0a4j-2029400000-a7c6db0b681580286bcc
Source of Spectrum ASC-350-1331/SM21-3ah
Wiley ID 1766350