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Benzoic acid 1-acetyl-hexyl ester
SpectraBase Compound ID 2rqNewEHNGs
InChI InChI=1S/C15H20O3/c1-3-4-6-11-14(12(2)16)18-15(17)13-9-7-5-8-10-13/h5,7-10,14H,3-4,6,11H2,1-2H3
InChIKey YIMPNSWFNUJAAK-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CikNCf79KKZ
Name Benzoic acid 1-acetyl-hexyl ester
Alternate Name(s) 2-Oxooctan-3-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-3-4-6-11-14(12(2)16)18-15(17)13-9-7-5-8-10-13/h5,7-10,14H,3-4,6,11H2,1-2H3
InChIKey YIMPNSWFNUJAAK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800355
Molecular Weight 248.322 g/mol
SMILES C(c1ccccc1)(=O)OC(CCCCC)C(=O)C
SPLASH splash10-0a4i-2900000000-1d072ef4e6b18fcccd91
Source of Spectrum ASC-350-2414/SM15-5g
Wiley ID 1765799