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3-Methoxy-benzoic acid hexyl ester
SpectraBase Compound ID BTzc87HecAW
InChI InChI=1S/C14H20O3/c1-3-4-5-6-10-17-14(15)12-8-7-9-13(11-12)16-2/h7-9,11H,3-6,10H2,1-2H3
InChIKey ROTBPRMBAFUZES-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JzhiyTo7F2
Name 3-Methoxy-benzoic acid hexyl ester
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 236.141244501 u
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-3-4-5-6-10-17-14(15)12-8-7-9-13(11-12)16-2/h7-9,11H,3-6,10H2,1-2H3
InChIKey ROTBPRMBAFUZES-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 236.311 g/mol
Nominal Mass 236 u
Quality 994
Retention Index 1815
SMILES C=1(C(OCCCCCC)=O)C=C(C=CC1)OC
SPLASH splash10-0udr-3900000000-65137f3d77dde2f7b530
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Hexyl m-methoxybenzoate m-Anisic acid hexyl ester m-Methoxybenzoic acid,hexyl ester Hexyl-3-methoxy benzoate
Technique GC/MS
Wiley ID DD2024_015073