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3,5-Dimethyl-orsellinic acid, ethyl ester
SpectraBase Compound ID Dq84YRvGjRj
InChI InChI=1S/C12H16O4/c1-5-16-12(15)9-6(2)7(3)10(13)8(4)11(9)14/h13-14H,5H2,1-4H3
InChIKey NHKFCDQZJNYGKZ-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Esu4ROzEXsV
Name ethyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Alternate Name(s) 2,4-dihydroxy-3,5,6-trimethylbenzoic acid ethyl ester ethyl 2,4-dihydroxy-3,5,6-trimethyl-benzoate ethyl 2,3,5-trimethyl-4,6-bis(oxidanyl)benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-5-16-12(15)9-6(2)7(3)10(13)8(4)11(9)14/h13-14H,5H2,1-4H3
InChIKey NHKFCDQZJNYGKZ-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES Oc1c(c(c(c(c1C)O)C(=O)OCC)C)C
SPLASH splash10-0udi-0920000000-7b4c073536e6bd4c3054
Source of Spectrum B-46-301-0
Wiley ID 1225034