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3-[5-(acetoxymethyl)-2-formyl-4-(2-keto-2-methoxy-ethyl)-1H-pyrrol-3-yl]propionic acid methyl ester
SpectraBase Compound ID 5sFJW1EiOKT
InChI InChI=1S/C15H19NO7/c1-9(18)23-8-13-11(6-15(20)22-3)10(12(7-17)16-13)4-5-14(19)21-2/h7,16H,4-6,8H2,1-3H3
InChIKey WLIZWFJZGCZWHS-UHFFFAOYSA-N
Mol Weight 325.32 g/mol
Molecular Formula C15H19NO7
Exact Mass 325.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtsqVVxnhU0
Name 3-[5-(acetoxymethyl)-2-formyl-4-(2-keto-2-methoxy-ethyl)-1H-pyrrol-3-yl]propionic acid methyl ester
CAS Registry Number 58950-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO7
InChI InChI=1S/C15H19NO7/c1-9(18)23-8-13-11(6-15(20)22-3)10(12(7-17)16-13)4-5-14(19)21-2/h7,16H,4-6,8H2,1-3H3
InChIKey WLIZWFJZGCZWHS-UHFFFAOYSA-N
Molecular Weight 325.317 g/mol
SMILES [nH]1c(c(c(c1COC(=O)C)CC(=O)OC)CCC(=O)OC)C=O
SPLASH splash10-05rr-2194000000-5388641e2f93b37580c6
Source of Spectrum KC-1976-289-0
Synonyms 3-[5-(acetyloxymethyl)-2-formyl-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoic acid methyl ester Methyl 3-[5-(acetoxymethyl)-2-formyl-4-(2-methoxy-2-oxo-ethyl)-1H-pyrrol-3-yl]propanoate Methyl 3-[5-(acetyloxymethyl)-2-methanoyl-4-(2-methoxy-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate
Wiley ID 1323861