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1H-Pyrrole-3-butanoic acid, 2-[(acetyloxy)methyl]-5-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
SpectraBase Compound ID HiTIXOqZpi6
InChI InChI=1S/C18H27NO6/c1-11-13(8-7-9-15(21)23-6)14(10-24-12(2)20)19-16(11)17(22)25-18(3,4)5/h19H,7-10H2,1-6H3
InChIKey PBCKFHDDCYEXLN-UHFFFAOYSA-N
Mol Weight 353.42 g/mol
Molecular Formula C18H27NO6
Exact Mass 353.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmkcRgsfQ5h
Name 1H-Pyrrole-3-butanoic acid, 2-[(acetyloxy)methyl]-5-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
CAS Registry Number 99602-70-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO6
InChI InChI=1S/C18H27NO6/c1-11-13(8-7-9-15(21)23-6)14(10-24-12(2)20)19-16(11)17(22)25-18(3,4)5/h19H,7-10H2,1-6H3
InChIKey PBCKFHDDCYEXLN-UHFFFAOYSA-N
Molecular Weight 353.415 g/mol
SMILES [nH]1c(c(c(c1C(OC(C)(C)C)=O)C)CCCC(=O)OC)COC(=O)C
SPLASH splash10-001i-9001000000-5b95b21f885419499be1
Source of Spectrum KC-1985-1705-22
Synonyms t-Butyl 5-acetoxymethyl-4-(3-methoxycarbonylpropyl)-3-methylpyrrole-2-carboxylate tert-Butyl 5-[(acetyloxy)methyl]-4-(4-methoxy-4-oxobutyl)-3-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1343887