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Ptoluic acid

View entire compound with spectra: 37 NMR, 8 FTIR, and 20 MS (GC)

Ptoluic acid
SpectraBase Compound ID 1T9y3B5EDQo
InChI InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey LPNBBFKOUUSUDB-UHFFFAOYSA-N
Mol Weight 136.15 g/mol
Molecular Formula C8H8O2
Exact Mass 136.052429 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rbBxPXglIW
Name 4-METHYLBENZOIC_ACID
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8O2
InChI InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey LPNBBFKOUUSUDB-UHFFFAOYSA-N
Literature Reference Author A.L.BAUMSTARK,P.BALAKRISHNAN,M.DOTRONG,C.J.MCCLOSKEY,M.G.OAK LEY,D.W.BOYKIN
Literature Reference Citation J.AM.CHEM.SOC.,109,1059(1987)
Literature Reference DOI 10.1021/ja00238a013
Solvent CH3CN
Source File Reference UHPK301