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3-Methoxy-benzoic acid methyl ester
SpectraBase Compound ID JEPCuDxLV9R
InChI InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3
InChIKey DUKYPQBGYRJVAN-UHFFFAOYSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXRCqjUn6HI
Name 3-Methoxy-benzoic acid methyl ester
CAS Registry Number 5368-81-0
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 166.062994179 u
Formula C9H10O3
InChI InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3
InChIKey DUKYPQBGYRJVAN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 166.176 g/mol
Nominal Mass 166 u
Quality 1000
Retention Index 1325
SMILES C=1(C=C(C=CC1)OC)C(OC)=O
SPLASH splash10-00kr-3900000000-5be4f542fd9e58a1d61c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,3-methoxy-,methyl ester Methyl m-anisate Methyl 3-methoxybenzoate
Technique GC/MS
Wiley ID DD2024_022600