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m-Toluic acid
SpectraBase Compound ID BXvpR4iCAKc
InChI InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey GPSDUZXPYCFOSQ-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 BM7ytn5kLCN
Name Benzoic acid, 3-methyl-
CAS Registry Number 99-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O2
InChI InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey GPSDUZXPYCFOSQ-UHFFFAOYSA-N
Molecular Weight 136.150 g/mol
SMILES OC(=O)c1cc(C)ccc1
SPLASH splash10-000f-9400000000-f87de171bbf270ac4983
Source of Spectrum WS-1986-5-0
Synonyms 3-Methylbenzoic acid 3-Toluic acid M-methylbenzoate m-Methylbenzoic acid m-Toluic acid m-Toluylic acid meta-Toluic acid AI3-15626 BRN 0970526 EINECS 202-723-9 NSC 2214
Wiley ID 1135927