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2-Hydroxy-4-methoxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoic acid
SpectraBase Compound ID FejVNHZEM6y
InChI InChI=1S/C15H20O6/c1-3-4-15(20-5-6-21-15)9-10-7-11(19-2)8-12(16)13(10)14(17)18/h7-8,16H,3-6,9H2,1-2H3,(H,17,18)
InChIKey GWWIMHLTFGXYGG-UHFFFAOYSA-N
Mol Weight 296.32 g/mol
Molecular Formula C15H20O6
Exact Mass 296.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8M529v5HLv
Name 2-Hydroxy-4-methoxy-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoic acid
Alternate Name(s) 4-methoxy-2-oxidanyl-6-[(2-propyl-1,3-dioxolan-2-yl)methyl]benzoic acid
CAS Registry Number 127743-34-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O6
InChI InChI=1S/C15H20O6/c1-3-4-15(20-5-6-21-15)9-10-7-11(19-2)8-12(16)13(10)14(17)18/h7-8,16H,3-6,9H2,1-2H3,(H,17,18)
InChIKey GWWIMHLTFGXYGG-UHFFFAOYSA-N
Molecular Weight 296.319 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CC1(OCCO1)CCC)OC
SPLASH splash10-014i-0900000000-31522285c9b34d48b602
Source of Spectrum B-42-1976-22
Wiley ID 1298873