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Hexyl-p-toluate
SpectraBase Compound ID HlIUi5XtvXk
InChI InChI=1S/C14H20O2/c1-3-4-5-6-11-16-14(15)13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3
InChIKey PELWVATUYGIRES-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EB4Z4kf09hx
Name Hexyl-p-toluate
CAS Registry Number 27942-63-8
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 220.146329882 u
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-3-4-5-6-11-16-14(15)13-9-7-12(2)8-10-13/h7-10H,3-6,11H2,1-2H3
InChIKey PELWVATUYGIRES-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 220.312 g/mol
Nominal Mass 220 u
Quality 968
Retention Index 1678
SMILES C=1(C(OCCCCCC)=O)C=CC(=CC1)C
SPLASH splash10-00kr-6900000000-6e65b2eda95cae8eec3d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms p-Toluic acid hexyl ester p-Toluicacid,hexyl ester Hexyl-4-methyl benzoate
Technique GC/MS
Wiley ID DD2024_010342