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3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester
SpectraBase Compound ID 4w7rp2fUgTn
InChI InChI=1S/C11H12O5/c1-5-4-7(13)9(6(2)12)10(14)8(5)11(15)16-3/h4,13-14H,1-3H3
InChIKey UMIALPHSWWCBPR-UHFFFAOYSA-N
Mol Weight 224.21 g/mol
Molecular Formula C11H12O5
Exact Mass 224.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeFJFeJaIZn
Name 3-Acetyl-2,4-dihydroxy-6-methyl-benzoic acid, methyl ester
Alternate Name(s) Methyl 3-acetyl-2,4-dihydroxy-6-methyl-benzoate Methyl 3-ethanoyl-6-methyl-2,4-bis(oxidanyl)benzoate 3-Acetyl-2,4-dihydroxy-6-methylbenzoic acid methyl ester Methyl 3-acetyl-2,4-dihydroxy-6-methylbenzoate
CAS Registry Number 19802-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O5
InChI InChI=1S/C11H12O5/c1-5-4-7(13)9(6(2)12)10(14)8(5)11(15)16-3/h4,13-14H,1-3H3
InChIKey UMIALPHSWWCBPR-UHFFFAOYSA-N
Molecular Weight 224.212 g/mol
SMILES Oc1c(c(c(c(c1)C)C(=O)OC)O)C(=O)C
SPLASH splash10-03ml-3920000000-c1e3f648627cbdf1c84d
Wiley ID 1484606