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5-benzoxyisophthalic acid

View entire compound with spectra: 1 MS (GC)

5-benzoxyisophthalic acid
SpectraBase Compound ID KEY3hdoBQeU
InChI InChI=1S/C15H12O5/c16-14(17)11-6-12(15(18)19)8-13(7-11)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKey IUVPKFJCXNRPIJ-UHFFFAOYSA-N
Mol Weight 272.26 g/mol
Molecular Formula C15H12O5
Exact Mass 272.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPaew19xsks
Name 5-benzoxyisophthalic acid
CAS Registry Number 114274-39-4
Comments Less than 3 mono-isotopic peaks
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Formula C15H12O5
InChI InChI=1S/C15H12O5/c16-14(17)11-6-12(15(18)19)8-13(7-11)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKey IUVPKFJCXNRPIJ-UHFFFAOYSA-N
Molecular Weight 272.256 g/mol
SMILES OC(c1cc(C(=O)O)cc(c1)OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-1dda6421aa7589a13048
Source of Spectrum J-53-2753-13
Synonyms 5-benzyloxybenzene-1,3-dicarboxylic acid 5-phenylmethoxybenzene-1,3-dicarboxylic acid
Wiley ID 1276086