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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CtmhIOoyVu
Name 2-Methyl-benzoic acid
CAS Registry Number 118-90-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O2
InChI InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey ZWLPBLYKEWSWPD-UHFFFAOYSA-N
Molecular Weight 136.150 g/mol
SMILES OC(=O)c1c(C)cccc1
SPLASH splash10-00kg-9100000000-8c0f2d2be2228f9c4a4c
Source of Spectrum Va-0-0-0
Synonyms Benzoic acid, 2-methyl- 2-Toluic acid O-methylbenzoate O-toluate o-Toluic acid o-Toluylic acid Orthotoluic acid Toluic acid AI3-15625 BRN 1072103 EINECS 204-284-9 NSC 2193
Wiley ID 739872