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2,5-Dimethylbenzoic acid tert-butyl ester
SpectraBase Compound ID JndoHclzGOX
InChI InChI=1S/C13H18O2/c1-9-6-7-10(2)11(8-9)12(14)15-13(3,4)5/h6-8H,1-5H3
InChIKey CIRKQBCGHJXSGR-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRqfO6EN46
Name 2,5-Dimethylbenzoic acid tert-butyl ester
Alternate Name(s) tert-Butyl 2,5-dimethylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9-6-7-10(2)11(8-9)12(14)15-13(3,4)5/h6-8H,1-5H3
InChIKey CIRKQBCGHJXSGR-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C(c1c(ccc(c1)C)C)(OC(C)(C)C)=O
SPLASH splash10-0f89-1900000000-61dde1ee2c63b0f23d9d
Source of Spectrum UW-0-0-16954
Wiley ID 1204796