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Methyl 3-methyl benzoate
SpectraBase Compound ID 9bzP2zzOYS5
InChI InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3
InChIKey CPXCDEMFNPKOEF-UHFFFAOYSA-N
Mol Weight 150.18 g/mol
Molecular Formula C9H10O2
Exact Mass 150.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3u8NFokk3z
Name Benzoic acid, 3-methyl-, methyl ester
Alternate Name(s) m-Toluic acid, methyl ester m-Toluylic acid, methyl ester meta-Toluic acid, methyl ester Methyl 3-toluate Methyl m-methylbenzoate Methyl m-toluate Methyl 3-methylbenzoate AI3-24382 EINECS 202-753-2 NSC 20004
CAS Registry Number 99-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O2
InChI InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3
InChIKey CPXCDEMFNPKOEF-UHFFFAOYSA-N
Molecular Weight 150.177 g/mol
SMILES COC(=O)c1cc(C)ccc1
SPLASH splash10-014i-4900000000-831021496e25b9dda4c8
Source of Spectrum Va-0-0-0
Wiley ID 741866