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4-Methoxy-benzoic acid methyl ester
SpectraBase Compound ID FoBGy1e1e8B
InChI InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKey DDIZAANNODHTRB-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 8IPlOajWJeq
Name 4-Methoxy-benzoic acid methyl ester
CAS Registry Number 121-98-2
Classification Pharmaceutical drug precursor
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/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKey DDIZAANNODHTRB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 166.176 g/mol
Nominal Mass 166 u
Quality 986
Retention Index 1337
SMILES C=1(C(OC)=O)C=CC(=CC1)OC
SPLASH splash10-000i-3900000000-c6e57c08376620922373
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Methyl p-Anisate Methyl-4-methoxy benzoate
Technique GC/MS
Wiley ID DD2024_015263