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Methyl 2,3,4-trihydroxy-6-propylbenzoate
SpectraBase Compound ID DA6z9ulmbnq
InChI InChI=1S/C11H14O5/c1-3-4-6-5-7(12)9(13)10(14)8(6)11(15)16-2/h5,12-14H,3-4H2,1-2H3
InChIKey BDEOEWDBHLJIBY-UHFFFAOYSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hzHQpvysbv
Name Methyl 2,3,4-trihydroxy-6-propylbenzoate
Alternate Name(s) 2,3,4-trihydroxy-6-propylbenzoic acid methyl ester Methyl 2,3,4-trihydroxy-6-propyl-benzoate Methyl 2,3,4-tris(oxidanyl)-6-propyl-benzoate
CAS Registry Number 15080-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-3-4-6-5-7(12)9(13)10(14)8(6)11(15)16-2/h5,12-14H,3-4H2,1-2H3
InChIKey BDEOEWDBHLJIBY-UHFFFAOYSA-N
Molecular Weight 226.228 g/mol
SMILES Oc1c(cc(c(c1O)C(=O)OC)CCC)O
SPLASH splash10-0006-0910000000-1d618380f880068577ad
Source of Spectrum B-39-621-16
Wiley ID 1227053