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Benzoic acid 2-ethylhexyl ester
SpectraBase Compound ID 369tHjHKd7Z
InChI InChI=1S/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKey UADWUILHKRXHMM-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2kmKjcSll5
Name Benzoic acid 2-ethylhexyl ester
CAS Registry Number 5444-75-7
Classification Preservative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKey UADWUILHKRXHMM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 234.339 g/mol
Nominal Mass 234 u
Quality 893
Retention Index 1691
SMILES C=1(C(OCC(CCCC)CC)=O)C=CC=CC1
SPLASH splash10-0ab9-9600000000-112db1867ddb556cd6e4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-ethylhexyl benzoate
Technique GC/MS
Wiley ID DD2024_004860