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phthalic acid, mono(alpha-methylbenzyl)ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

phthalic acid, mono(alpha-methylbenzyl)ester
SpectraBase Compound ID IArnKKtcAdP
InChI InChI=1S/C16H14O4/c1-11(12-7-3-2-4-8-12)20-16(19)14-10-6-5-9-13(14)15(17)18/h2-11H,1H3,(H,17,18)
InChIKey HWQNOBIACRMODQ-UHFFFAOYSA-N
Mol Weight 270.28 g/mol
Molecular Formula C16H14O4
Exact Mass 270.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3ODDZv88PI
Name 2-[(1-phenylethoxy)carbonyl]benzoic acid
Alternate Name(s) 2-[oxo(1-phenylethoxy)methyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O4
InChI InChI=1S/C16H14O4/c1-11(12-7-3-2-4-8-12)20-16(19)14-10-6-5-9-13(14)15(17)18/h2-11H,1H3,(H,17,18)
InChIKey HWQNOBIACRMODQ-UHFFFAOYSA-N
Molecular Weight 270.284 g/mol
SMILES OC(c1c(C(OC(c2ccccc2)C)=O)cccc1)=O
SPLASH splash10-0kmi-5900000000-7302f0bd71dddfef34d8
Wiley ID 1457028