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1H-Pyrrole-3-propanoic acid, 5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester
SpectraBase Compound ID 3hTHpPfuPgk
InChI InChI=1S/C17H26N2O6/c1-17(2,3)25-16(22)19-10-13-12(8-15(21)24-5)11(9-18-13)6-7-14(20)23-4/h9,18H,6-8,10H2,1-5H3,(H,19,22)
InChIKey GULXWZYMVFGKNZ-UHFFFAOYSA-N
Mol Weight 354.4 g/mol
Molecular Formula C17H26N2O6
Exact Mass 354.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78zfhGr8RgK
Name 1H-Pyrrole-3-propanoic acid, 5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester
CAS Registry Number 58950-58-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26N2O6
InChI InChI=1S/C17H26N2O6/c1-17(2,3)25-16(22)19-10-13-12(8-15(21)24-5)11(9-18-13)6-7-14(20)23-4/h9,18H,6-8,10H2,1-5H3,(H,19,22)
InChIKey GULXWZYMVFGKNZ-UHFFFAOYSA-N
Molecular Weight 354.403 g/mol
SMILES [nH]1cc(c(c1CNC(OC(C)(C)C)=O)CC(=O)OC)CCC(=O)OC
SPLASH splash10-0a4i-9140000000-55516225dd0b1daf48d4
Source of Spectrum KC-1976-288-0
Synonyms 4-(2-Methoxycarbonylethyl)-3-methoxycarbonylmethyl-2-t-butoxycarbonylaminomethylpyrrole Methyl 3-[5-{[(tert-butoxycarbonyl)amino]methyl}-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoate
Wiley ID 1344391