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5-(acetoxymethyl)-4-(3-keto-3-methoxy-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID LDda69jb7VY
InChI InChI=1S/C17H25NO6/c1-10-12(7-8-14(20)22-6)13(9-23-11(2)19)18-15(10)16(21)24-17(3,4)5/h18H,7-9H2,1-6H3
InChIKey JEQHCQYESPAKCU-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C17H25NO6
Exact Mass 339.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UW83N6PhiV
Name 5-(acetoxymethyl)-4-(3-keto-3-methoxy-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
Alternate Name(s) 5-(acetyloxymethyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester tert-Butyl 5-(acetoxymethyl)-4-(3-methoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylate tert-Butyl 5-(acetyloxymethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 30089-44-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO6
InChI InChI=1S/C17H25NO6/c1-10-12(7-8-14(20)22-6)13(9-23-11(2)19)18-15(10)16(21)24-17(3,4)5/h18H,7-9H2,1-6H3
InChIKey JEQHCQYESPAKCU-UHFFFAOYSA-N
Molecular Weight 339.388 g/mol
SMILES [nH]1c(c(c(c1C(OC(C)(C)C)=O)C)CCC(=O)OC)COC(=O)C
SPLASH splash10-00di-0094000000-69493b1d75ea0e6e3741
Source of Spectrum KC-1985-1705-20
Wiley ID 1334427