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2-(Benzyloxy)-6-(methoxycarbonyl)-3-methylbenzoic acid
SpectraBase Compound ID 8HDGCoJbQ1h
InChI InChI=1S/C17H16O5/c1-11-8-9-13(17(20)21-2)14(16(18)19)15(11)22-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey PBXMAWMDMKYDLK-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C17H16O5
Exact Mass 300.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qTrXDleA4A
Name 2-(Benzyloxy)-6-(methoxycarbonyl)-3-methylbenzoic acid
Appearance White solid
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Exact Mass 300.099773610 u
Formula C17H16O5
InChI InChI=1S/C17H16O5/c1-11-8-9-13(17(20)21-2)14(16(18)19)15(11)22-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey PBXMAWMDMKYDLK-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5995
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503171
Quality 47
Reported Formula C17H15O5
SMILES OC(C1=C(OCC2=CC=CC=C2)C(=CC=C1C(=O)OC)C)=O
SPLASH splash10-0006-9000000000-535a33f060811590c15a
Source of Spectrum QE-21-SM14-16 (DOI: 10.1002/chem.201503171)
Wiley ID 1907459