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3-Hydroxy-4-(2-oxanyl)benzoic acid methyl ester
SpectraBase Compound ID AYqQgx2WTet
InChI InChI=1S/C13H16O4/c1-16-13(15)9-5-6-10(11(14)8-9)12-4-2-3-7-17-12/h5-6,8,12,14H,2-4,7H2,1H3
InChIKey SYCDJWBZUFGLPA-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 E9XU11Y6oU1
Name 3-Hydroxy-4-(2-oxanyl)benzoic acid methyl ester
Alternate Name(s) 3-Hydroxy-4-tetrahydropyran-2-yl-benzoic acid methyl ester Methyl 3-hydroxy-4-(oxan-2-yl)benzoate Methyl 3-hydroxy-4-tetrahydropyran-2-yl-benzoate Methyl 4-(oxan-2-yl)-3-oxidanyl-benzoate
CAS Registry Number 117658-47-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-16-13(15)9-5-6-10(11(14)8-9)12-4-2-3-7-17-12/h5-6,8,12,14H,2-4,7H2,1H3
InChIKey SYCDJWBZUFGLPA-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES Oc1c(ccc(C(=O)OC)c1)C1OCCCC1
SPLASH splash10-052r-0950000000-a5b3c014d470fb784aa6
Source of Spectrum B-41-77-14
Wiley ID 1238051