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Benzoic acid hexyl ester
SpectraBase Compound ID 6vRVwlODjMY
InChI InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey UUGLJVMIFJNVFH-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmlNOPSCkdM
Name Hexyl benzoate
CAS Registry Number 6789-88-4
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 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey UUGLJVMIFJNVFH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 206.285 g/mol
Nominal Mass 206 u
Quality 844
Retention Index 1560
SMILES C=1(C(OCCCCCC)=O)C=CC=CC1
SPLASH splash10-0ab9-5900000000-cbc03b6cd948b24cadac
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid hexyl ester n-Hexyl benzoate
Technique GC/MS
Wiley ID DD2024_012574