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4-[(Phenylacetoxy)methyl]benzoic acid
SpectraBase Compound ID 9bssLKXP4A3
InChI InChI=1S/C16H14O4/c17-15(10-12-4-2-1-3-5-12)20-11-13-6-8-14(9-7-13)16(18)19/h1-9H,10-11H2,(H,18,19)
InChIKey LFCRZBBQZNEHBT-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 I2lTDsISZCm
Name 4-[(Phenylacetoxy)methyl]benzoic acid
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O4
InChI InChI=1S/C16H14O4/c17-15(10-12-4-2-1-3-5-12)20-11-13-6-8-14(9-7-13)16(18)19/h1-9H,10-11H2,(H,18,19)
InChIKey LFCRZBBQZNEHBT-UHFFFAOYSA-N
Instrument Name Finnigan MAT-90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.179
Molecular Weight 270.284 g/mol
Reported Formula C16H14O4
SMILES OC(c1ccc(cc1)COC(=O)Cc1ccccc1)=O
SPLASH splash10-0006-9300000000-72b20666d5d3b26a8d23
Source of Spectrum BJO-9-SM9-28
Thin-Layer Chromatography Rf = 0.29 (MeOH/CH2Cl2, 19:1)
Wiley ID 1853732