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.gamma.-Oxo-3-[(methoxycarbonyl)methyl]-1H-indole-1-butanoic acid
SpectraBase Compound ID D043GiCw5Ai
InChI InChI=1S/C15H15NO5/c1-21-15(20)8-10-9-16(13(17)6-7-14(18)19)12-5-3-2-4-11(10)12/h2-5,9H,6-8H2,1H3,(H,18,19)
InChIKey ZDMIGJMCZXSPFQ-UHFFFAOYSA-N
Mol Weight 289.29 g/mol
Molecular Formula C15H15NO5
Exact Mass 289.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dn1RKJDG04O
Name .gamma.-Oxo-3-[(methoxycarbonyl)methyl]-1H-indole-1-butanoic acid
Alternate Name(s) 4-[3-(2-methoxy-2-oxoethyl)-1H-indol-1-yl]-4-oxobutanoic acid
CAS Registry Number 55854-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO5
InChI InChI=1S/C15H15NO5/c1-21-15(20)8-10-9-16(13(17)6-7-14(18)19)12-5-3-2-4-11(10)12/h2-5,9H,6-8H2,1H3,(H,18,19)
InChIKey ZDMIGJMCZXSPFQ-UHFFFAOYSA-N
Molecular Weight 289.287 g/mol
SMILES OC(CCC([n]1cc(CC(=O)OC)c2c1cccc2)=O)=O
SPLASH splash10-001r-0900000000-d92722ac592daa8c6006
Source of Spectrum J-44-3996-0
Wiley ID 1292552