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Benzoic acid,3-methoxy-,ethyl ester
SpectraBase Compound ID 303CyGA9FM9
InChI InChI=1S/C10H12O3/c1-3-13-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3
InChIKey GSQLMBQLTPEPHD-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pX9xX25WE4
Name 3-Methoxybenzoic acid ethyl ester
CAS Registry Number 10259-22-0
Classification Flavor, fragrance
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 180.078644243 u
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-3-13-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3
InChIKey GSQLMBQLTPEPHD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 180.203 g/mol
Nominal Mass 180 u
Quality 993
Retention Index 1389
SMILES C=1(C(OCC)=O)C=C(C=CC1)OC
SPLASH splash10-000i-3900000000-3df11c73a1aefaede78a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,3-methoxy-,ethyl ester Ethyl m-methoxybenzoate m-Anisic acid ethyl ester Ethyl-3-methoxy benzoate
Technique GC/MS
Wiley ID DD2024_015069