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p-toluic acid, methyl ester
SpectraBase Compound ID MdbpWmH7hJ
InChI InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
InChIKey QSSJZLPUHJDYKF-UHFFFAOYSA-N
Mol Weight 150.18 g/mol
Molecular Formula C9H10O2
Exact Mass 150.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KGCTMnNDzk
Name Methyl-p-toluate
CAS Registry Number 99-75-2
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 150.068079560 u
Formula C9H10O2
InChI InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
InChIKey QSSJZLPUHJDYKF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 150.177 g/mol
Nominal Mass 150 u
Quality 999
Retention Index 1222
SMILES C=1(C(OC)=O)C=CC(=CC1)C
SPLASH splash10-014i-4900000000-23efbab1e8cb555cd4fb
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,4-methyl-,methyl ester Methyl 4-toluate Methyl p-toluate Methyl 4-methyl benzoate
Technique GC/MS
Wiley ID DD2024_022424