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Benzoic acid, 4-methyl-, difluoromethyl ester
SpectraBase Compound ID IXZj12FaK0O
InChI InChI=1S/C9H8F2O2/c1-6-2-4-7(5-3-6)8(12)13-9(10)11/h2-5,9H,1H3
InChIKey BYMDGKDQAJZCOB-UHFFFAOYSA-N
Mol Weight 186.16 g/mol
Molecular Formula C9H8F2O2
Exact Mass 186.049236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bdYcJNHWQE
Name Benzoic acid, 4-methyl-, difluoromethyl ester
Alternate Name(s) difluoromethyl 4-methylbenzoate
CAS Registry Number 120608-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8F2O2
InChI InChI=1S/C9H8F2O2/c1-6-2-4-7(5-3-6)8(12)13-9(10)11/h2-5,9H,1H3
InChIKey BYMDGKDQAJZCOB-UHFFFAOYSA-N
Molecular Weight 186.158 g/mol
SMILES C(OC(F)F)(c1ccc(cc1)C)=O
SPLASH splash10-00di-2900000000-08a31a330560cf26a967
Source of Spectrum J-54-3026-5
Wiley ID 1182444