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3-Acetyl-6-methylbenzoic acid methyl ester
SpectraBase Compound ID 1g50QaxDVjK
InChI InChI=1S/C11H12O3/c1-7-4-5-9(8(2)12)6-10(7)11(13)14-3/h4-6H,1-3H3
InChIKey YSSOATPULWBAAF-UHFFFAOYSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jqH4RDhPdu
Name 3-Acetyl-6-methylbenzoic acid methyl ester
Alternate Name(s) Methyl 5-acetyl-2-methylbenzoate 5-Acetyl-2-methylbenzoic acid methyl ester Methyl 5-acetyl-2-methyl-benzoate Methyl 5-ethanoyl-2-methyl-benzoate
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Formula C11H12O3
InChI InChI=1S/C11H12O3/c1-7-4-5-9(8(2)12)6-10(7)11(13)14-3/h4-6H,1-3H3
InChIKey YSSOATPULWBAAF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900099
Molecular Weight 192.214 g/mol
SMILES C(c1cc(ccc1C)C(=O)C)(=O)OC
SPLASH splash10-004i-0900000000-9f8dd37f684ade51968a
Source of Spectrum ASC-351-1683-2d'
Wiley ID 1763253