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3-(2,3,4,5,6-pentamethylphenyl)propanoic acid
SpectraBase Compound ID 9Da4M2z2gvo
InChI InChI=1S/C14H20O2/c1-8-9(2)11(4)13(6-7-14(15)16)12(5)10(8)3/h6-7H2,1-5H3,(H,15,16)
InChIKey YUKWGQSFGDPOKF-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOrXlrCLHBQ
Name 3-(2,3,4,5,6-pentamethylphenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-8-9(2)11(4)13(6-7-14(15)16)12(5)10(8)3/h6-7H2,1-5H3,(H,15,16)
InChIKey YUKWGQSFGDPOKF-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 220.312 g/mol
SMILES OC(CCc1c(c(c(C)c(C)c1C)C)C)=O
SPLASH splash10-03di-0920000000-dbb1015a6ab87359feb6
Source of Spectrum EP2226329A1
Thin-Layer Chromatography Rf = 0.5 (silica gel, hexanes/EtOAc, 1:1)
Wiley ID 1843935