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1H-Pyrrole-3-butanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-2,4-dimethyl-, methyl ester
SpectraBase Compound ID DYIiubkBHf
InChI InChI=1S/C16H25NO4/c1-10-12(8-7-9-13(18)20-6)11(2)17-14(10)15(19)21-16(3,4)5/h17H,7-9H2,1-6H3
InChIKey KXNKCUVSKGSISN-UHFFFAOYSA-N
Mol Weight 295.38 g/mol
Molecular Formula C16H25NO4
Exact Mass 295.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrlfvzRBcUq
Name 1H-Pyrrole-3-butanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-2,4-dimethyl-, methyl ester
CAS Registry Number 99602-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO4
InChI InChI=1S/C16H25NO4/c1-10-12(8-7-9-13(18)20-6)11(2)17-14(10)15(19)21-16(3,4)5/h17H,7-9H2,1-6H3
InChIKey KXNKCUVSKGSISN-UHFFFAOYSA-N
Molecular Weight 295.379 g/mol
SMILES [nH]1c(c(c(c1C(OC(C)(C)C)=O)C)CCCC(=O)OC)C
SPLASH splash10-0udr-0890000000-444e8526156209b1935b
Source of Spectrum KC-1985-1705-0
Synonyms t-Butyl ester tert-Butyl 4-(4-methoxy-4-oxobutyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1298193