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1H-Pyrrole-3-propanoic acid, 5-bromo-2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester
SpectraBase Compound ID KqsnLXElBKX
InChI InChI=1S/C16H22BrNO6/c1-16(2,3)24-15(21)13-9(6-7-11(19)22-4)10(14(17)18-13)8-12(20)23-5/h18H,6-8H2,1-5H3
InChIKey FEKVWZACLFNSNL-UHFFFAOYSA-N
Mol Weight 404.26 g/mol
Molecular Formula C16H22BrNO6
Exact Mass 403.06305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OoWbqctVXx
Name 1H-Pyrrole-3-propanoic acid, 5-bromo-2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester
CAS Registry Number 118826-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22BrNO6
InChI InChI=1S/C16H22BrNO6/c1-16(2,3)24-15(21)13-9(6-7-11(19)22-4)10(14(17)18-13)8-12(20)23-5/h18H,6-8H2,1-5H3
InChIKey FEKVWZACLFNSNL-UHFFFAOYSA-N
Molecular Weight 404.257 g/mol
SMILES [nH]1c(c(c(c1C(OC(C)(C)C)=O)CCC(=O)OC)CC(=O)OC)Br
SPLASH splash10-014i-0009100000-9ed721097299e67db564
Source of Spectrum KC-1988-1563-15
Synonyms t-Butyl 5-buomo-3-(2-methoxycarbonylethyl)-4-methoxy-carbonylmethylpyrrole-2-carboxylate tert-Butyl 5-bromo-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
Wiley ID 1370785