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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 8uw3vgZ0p0O
Name Benzoic acid, 2-ethylhexyl ester
CAS Registry Number 5444-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/anie.201408516
Molecular Weight 234.339 g/mol
SMILES c1cc(ccc1)C(=O)OCC(CCCC)CC
SPLASH splash10-0a6r-3900000000-aaf4549809b29ed547c0
Source of Spectrum ACI-54-2270/SM-2w
Synonyms 2-Ethylhexyl benzoate Ethylhexyl benzoate 2-Ethyl-1-hexanol benzoate
Wiley ID 1760279