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Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, ethyl ester
SpectraBase Compound ID KLCvGlc9XqV
InChI InChI=1S/C11H12O5/c1-3-16-11(15)9-6(2)4-8(13)7(5-12)10(9)14/h4-5,13-14H,3H2,1-2H3
InChIKey HUXJGSHUVDWZAM-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 2erSkvKDq20
Name Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, ethyl ester
Alternate Name(s) 3-formyl-2,4-dihydroxy-6-methyl-benzoic acid ethyl ester ethyl 3-formyl-2,4-dihydroxy-6-methyl-benzoate ethyl 3-methanoyl-6-methyl-2,4-bis(oxidanyl)benzoate Ethyl haematommate Ethyl Hematommate Haematommic acid ethyl ester Hematommic acid ethyl ester 3-formyl-2,4-dihydroxy-6-methylbenzoic acid ethyl ester
CAS Registry Number 39503-14-5
Comments Less than 3 mono-isotopic peaks
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Formula C11H12O5
InChI InChI=1S/C11H12O5/c1-3-16-11(15)9-6(2)4-8(13)7(5-12)10(9)14/h4-5,13-14H,3H2,1-2H3
InChIKey HUXJGSHUVDWZAM-UHFFFAOYSA-N
Molecular Weight 224.212 g/mol
SMILES Oc1cc(c(c(c1C=O)O)C(=O)OCC)C
SPLASH splash10-0udi-0920000000-8426c5ca4e05fa0e795d
Source of Spectrum B-42-767-0
Wiley ID 1224708