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4-Methyl-1-ethyl-2-phenyl-4-[13C]-succinate
SpectraBase Compound ID K1XOIchzSlK
InChI InChI=1S/C13H16O4/c1-3-17-13(15)11(9-12(14)16-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3/i12+1
InChIKey LGIUHNRTQMCEGP-HNHCFKFXSA-N
Mol Weight 237.26 g/mol
Molecular Formula C1213CH16O4
Exact Mass 237.108214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JSHT7Ebia
Name 4-Methyl-1-ethyl-2-phenyl-4-[13C]-succinate
Comments Original formula: C12[13C]H16O4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-17-13(15)11(9-12(14)16-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3/i12+1
InChIKey LGIUHNRTQMCEGP-HNHCFKFXSA-N
Molecular Weight 237.259 g/mol
SMILES C([13C](=O)OC)C(C(=O)OCC)c1ccccc1
SPLASH splash10-022c-0900000000-2532b6318e69276cd778
Source of Spectrum O-27-527-13C-1b
Wiley ID 1238129