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3-Methyl-2-propionyl-benzoic acid
SpectraBase Compound ID 65gX4JTXYPn
InChI InChI=1S/C11H12O3/c1-3-9(12)10-7(2)5-4-6-8(10)11(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChIKey NHDLALXDVHJCQB-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 3fK1FxQkyo2
Name 3-Methyl-2-propionyl-benzoic acid
Alternate Name(s) 3-Methyl-2-(1-oxopropyl)benzoic acid 3-Methyl-2-propanoyl-benzoic acid
CAS Registry Number 92945-59-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3
InChI InChI=1S/C11H12O3/c1-3-9(12)10-7(2)5-4-6-8(10)11(13)14/h4-6H,3H2,1-2H3,(H,13,14)
InChIKey NHDLALXDVHJCQB-UHFFFAOYSA-N
Molecular Weight 192.214 g/mol
SMILES OC(c1c(c(ccc1)C)C(=O)CC)=O
SPLASH splash10-03di-3900000000-899b3d8e66b5cb06432f
Wiley ID 1480843