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1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-5-(1-methyl-2-nitroethyl)-, methyl ester, (.+-.)-

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-5-(1-methyl-2-nitroethyl)-, methyl ester, (.+-.)-
SpectraBase Compound ID GWFRZmXSYRw
InChI InChI=1S/C19H28N2O8/c1-11(10-21(25)26)16-13(9-15(23)28-6)12(7-8-14(22)27-5)17(20-16)18(24)29-19(2,3)4/h11,20H,7-10H2,1-6H3
InChIKey QBSGKPFAIDKYDW-UHFFFAOYSA-N
Mol Weight 412.44 g/mol
Molecular Formula C19H28N2O8
Exact Mass 412.184566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbDrbP91haf
Name 1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-5-(1-methyl-2-nitroethyl)-, methyl ester, (.+-.)-
Alternate Name(s) t-butyl 3-(2-methoxycarbonylethyl)-4-methoxycarbonyl-methyl-5-(1-methyl-2-nitroethyl)pyrrole-2-carboxylate tert-butyl 4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-5-(1-methyl-2-nitroethyl)-1H-pyrrole-2-carboxylate
CAS Registry Number 121103-43-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28N2O8
InChI InChI=1S/C19H28N2O8/c1-11(10-21(25)26)16-13(9-15(23)28-6)12(7-8-14(22)27-5)17(20-16)18(24)29-19(2,3)4/h11,20H,7-10H2,1-6H3
InChIKey QBSGKPFAIDKYDW-UHFFFAOYSA-N
Molecular Weight 412.439 g/mol
SMILES [nH]1c(c(c(c1C(CN(=O)=O)C)CC(=O)OC)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-000i-0090000000-55798c9796de8ef4d5a2
Source of Spectrum KC-1989-271-25
Wiley ID 1374316