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1H-Pyrrole-3-propanoic acid, 5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-formyl-4-(2-methoxy -2-oxoethyl)-, methyl ester
SpectraBase Compound ID Eu3eHBHHVev
InChI InChI=1S/C18H26N2O7/c1-18(2,3)27-17(24)19-9-13-12(8-16(23)26-5)11(14(10-21)20-13)6-7-15(22)25-4/h10,20H,6-9H2,1-5H3,(H,19,24)
InChIKey NLQPZTJCVATCFF-UHFFFAOYSA-N
Mol Weight 382.41 g/mol
Molecular Formula C18H26N2O7
Exact Mass 382.174001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaL6vuSSc6m
Name 1H-Pyrrole-3-propanoic acid, 5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-2-formyl-4-(2-methoxy -2-oxoethyl)-, methyl ester
CAS Registry Number 58950-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O7
InChI InChI=1S/C18H26N2O7/c1-18(2,3)27-17(24)19-9-13-12(8-16(23)26-5)11(14(10-21)20-13)6-7-15(22)25-4/h10,20H,6-9H2,1-5H3,(H,19,24)
InChIKey NLQPZTJCVATCFF-UHFFFAOYSA-N
Molecular Weight 382.413 g/mol
SMILES [nH]1c(c(c(c1CNC(OC(C)(C)C)=O)CC(=O)OC)CCC(=O)OC)C=O
SPLASH splash10-00pi-0097000000-589ff18187b2ab17beb7
Source of Spectrum KC-1976-288-0
Synonyms 3-(2-Methoxycarbonylethyl)-4-methoxycarbonylmethyl-5-t-butoxycarbonylaminomethylpyrrole-2-carbaledehyde Methyl 3-[5-{[(tert-butoxycarbonyl)amino]methyl}-2-formyl-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoate
Wiley ID 1360440