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3-(2-oxanyloxy)benzoic acid methyl ester
SpectraBase Compound ID 4llPRfbT3d7
InChI InChI=1S/C13H16O4/c1-15-13(14)10-5-4-6-11(9-10)17-12-7-2-3-8-16-12/h4-6,9,12H,2-3,7-8H2,1H3
InChIKey LVBPIUPLHPQTKP-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClDeZB7hql
Name 3-(2-oxanyloxy)benzoic acid methyl ester
CAS Registry Number 117658-56-7
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-15-13(14)10-5-4-6-11(9-10)17-12-7-2-3-8-16-12/h4-6,9,12H,2-3,7-8H2,1H3
InChIKey LVBPIUPLHPQTKP-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C(c1cc(OC2OCCCC2)ccc1)(=O)OC
SPLASH splash10-00di-0900000000-56e9779f3c7ae752598e
Source of Spectrum B-41-80-38
Synonyms 3-tetrahydropyran-2-yloxybenzoic acid methyl ester methyl 3-(oxan-2-yloxy)benzoate methyl 3-tetrahydropyran-2-yloxybenzoate
Wiley ID 1238053