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3-Methoxy-benzoic acid butyl ester
SpectraBase Compound ID HylRJj2JAoC
InChI InChI=1S/C12H16O3/c1-3-4-8-15-12(13)10-6-5-7-11(9-10)14-2/h5-7,9H,3-4,8H2,1-2H3
InChIKey BQGRZDUSDFGMHU-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIb7i0wPKiA
Name 3-Methoxy-benzoic acid butyl ester
Classification Pharmaceutical drug precursor
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 208.109944372 u
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-4-8-15-12(13)10-6-5-7-11(9-10)14-2/h5-7,9H,3-4,8H2,1-2H3
InChIKey BQGRZDUSDFGMHU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 208.257 g/mol
Nominal Mass 208 u
Quality 992
Retention Index 1594
SMILES C=1(C(OCCCC)=O)C=C(C=CC1)OC
SPLASH splash10-0udr-4900000000-b3fe03b5c762c167a799
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Butyl m-methoxybenzoate m-Anisic acid butyl ester Butyl-3-methoxy benzoate
Technique GC/MS
Wiley ID DD2024_015071