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5-iodo-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID J9aDtKm963f
InChI InChI=1S/C14H20INO4/c1-8-9(6-7-10(17)19-5)11(16-12(8)15)13(18)20-14(2,3)4/h16H,6-7H2,1-5H3
InChIKey UAAPYXOFVYQZQQ-UHFFFAOYSA-N
Mol Weight 393.22 g/mol
Molecular Formula C14H20INO4
Exact Mass 393.043703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TizsaTRfgr
Name 5-iodo-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
CAS Registry Number 31837-48-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20INO4
InChI InChI=1S/C14H20INO4/c1-8-9(6-7-10(17)19-5)11(16-12(8)15)13(18)20-14(2,3)4/h16H,6-7H2,1-5H3
InChIKey UAAPYXOFVYQZQQ-UHFFFAOYSA-N
Molecular Weight 393.221 g/mol
SMILES [nH]1c(c(c(c1C(OC(C)(C)C)=O)CCC(=O)OC)C)I
SPLASH splash10-000l-0009000000-6242f97c71928c9c669e
Source of Spectrum KC-1985-1705-0
Synonyms 5-iodo-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester tert-butyl 5-iodanyl-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate tert-butyl 5-iodo-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1366141