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Butanoic acid, 3-methylphenyl ester
SpectraBase Compound ID L5FGLpmjf58
InChI InChI=1S/C11H14O2/c1-3-5-11(12)13-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
InChIKey GYQSJJGXMUTZPU-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sgTS3KEGs5
Name Butanoic acid, 3-methylphenyl ester
Alternate Name(s) 3-Methylphenyl butyrate (3-methylphenyl) butanoate Butyric acid m-tolyl ester m-Cresyl butanoate m-Tolyl butanoate
CAS Registry Number 7476-80-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-3-5-11(12)13-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
InChIKey GYQSJJGXMUTZPU-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES C(Oc1cc(C)ccc1)(CCC)=O
SPLASH splash10-0abc-9300000000-b5f4777d9e066ba35956
Source of Spectrum A-1-277-1
Wiley ID 1174132