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3-(4-Methoxyphenyl)-4-methylpentanoic acid

View entire compound with spectra: 1 MS (GC)

3-(4-Methoxyphenyl)-4-methylpentanoic acid
SpectraBase Compound ID 4m8Dk2gF48a
InChI InChI=1S/C13H18O3/c1-9(2)12(8-13(14)15)10-4-6-11(16-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,14,15)
InChIKey IJYNCBAHVKZWIQ-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MedxamkR8c
Name 3-(4-Methoxyphenyl)-4-methylpentanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(2)12(8-13(14)15)10-4-6-11(16-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,14,15)
InChIKey IJYNCBAHVKZWIQ-UHFFFAOYSA-N
Instrument Name JEOL MS-DX 303
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.310
Molecular Weight 222.284 g/mol
Quality 14
Reported Formula C13H18O3
SMILES OC(CC(C1=CC=C(OC)C=C1)C(C)C)=O
SPLASH splash10-004i-0930000000-54048833fe9399dddd64
Source of Spectrum ARK-2003-95-16 (DOI: 10.3998/ark.5550190.0004.310)
Wiley ID 1899892