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4-Methoxy-benzoic acid n-hexyl ester
SpectraBase Compound ID IR7Ym4PTU1H
InChI InChI=1S/C14H20O3/c1-3-4-5-6-11-17-14(15)12-7-9-13(16-2)10-8-12/h7-10H,3-6,11H2,1-2H3
InChIKey DUALVGKOWZJXLR-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 DlNuoiomVKC
Name 4-Methoxy-benzoic acid n-hexyl ester
CAS Registry Number 81542-09-8
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 236.141244501 u
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-3-4-5-6-11-17-14(15)12-7-9-13(16-2)10-8-12/h7-10H,3-6,11H2,1-2H3
InChIKey DUALVGKOWZJXLR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 236.311 g/mol
Nominal Mass 236 u
Quality 993
Retention Index 1852
SMILES C=1(C(OCCCCCC)=O)C=CC(=CC1)OC
SPLASH splash10-0udr-3900000000-ff3f9eb5403b98ec456f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms n-Hexyl-4-methoxy benzoate
Technique GC/MS
Wiley ID DD2024_015124