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1H-Pyrrole-2-carboxylic acid, 3-[2-(acetyloxy)ethyl]-5-iodo-4-methyl-, phenylmethyl ester
SpectraBase Compound ID 3zmnauFDaQ1
InChI InChI=1S/C17H18INO4/c1-11-14(8-9-22-12(2)20)15(19-16(11)18)17(21)23-10-13-6-4-3-5-7-13/h3-7,19H,8-10H2,1-2H3
InChIKey ZOHDYODLULMHCU-UHFFFAOYSA-N
Mol Weight 427.24 g/mol
Molecular Formula C17H18INO4
Exact Mass 427.028053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFD9aVaCewh
Name 1H-Pyrrole-2-carboxylic acid, 3-[2-(acetyloxy)ethyl]-5-iodo-4-methyl-, phenylmethyl ester
CAS Registry Number 87377-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18INO4
InChI InChI=1S/C17H18INO4/c1-11-14(8-9-22-12(2)20)15(19-16(11)18)17(21)23-10-13-6-4-3-5-7-13/h3-7,19H,8-10H2,1-2H3
InChIKey ZOHDYODLULMHCU-UHFFFAOYSA-N
Molecular Weight 427.238 g/mol
SMILES [nH]1c(c(c(c1C(OCc1ccccc1)=O)CCOC(=O)C)C)I
SPLASH splash10-002f-9030100000-cf5ecadfbd2a063d3561
Source of Spectrum F-39-1853-0
Synonyms benzyl 3-[2-(acetyloxy)ethyl]-5-iodo-4-methyl-1H-pyrrole-2-carboxylate Benzyl 5-iodo-3-(2-acetoxyethyl)-4-methylpyrrole-2-carboxylate
Wiley ID 1380325