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4-Hydroxy-3-(2-oxanyl)benzoic acid methyl ester
SpectraBase Compound ID 3p2TnOApch1
InChI InChI=1S/C13H16O4/c1-16-13(15)9-5-6-11(14)10(8-9)12-4-2-3-7-17-12/h5-6,8,12,14H,2-4,7H2,1H3
InChIKey HGGAPFNUDRJAQE-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 J1NU9kcUBMh
Name 4-Hydroxy-3-(2-oxanyl)benzoic acid methyl ester
CAS Registry Number 117658-48-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-16-13(15)9-5-6-11(14)10(8-9)12-4-2-3-7-17-12/h5-6,8,12,14H,2-4,7H2,1H3
InChIKey HGGAPFNUDRJAQE-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES Oc1c(cc(C(=O)OC)cc1)C1OCCCC1
SPLASH splash10-052r-0390000000-a1ec4b504aef075817dc
Source of Spectrum B-41-77-15
Synonyms 4-Hydroxy-3-tetrahydropyran-2-yl-benzoic acid methyl ester Methyl 3-(oxan-2-yl)-4-oxidanyl-benzoate Methyl 4-hydroxy-3-(oxan-2-yl)benzoate Methyl 4-hydroxy-3-tetrahydropyran-2-yl-benzoate
Wiley ID 1238052