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1,4-Diethylhexyl 3-methylbenzoate
SpectraBase Compound ID DFILVq4vW3A
InChI InChI=1S/C18H28O2/c1-5-15(6-2)11-12-17(7-3)20-18(19)16-10-8-9-14(4)13-16/h8-10,13,15,17H,5-7,11-12H2,1-4H3
InChIKey BKKCNWVZPIUMME-UHFFFAOYSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgLNumfnitj
Name 1,4-Diethylhexyl 3-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-5-15(6-2)11-12-17(7-3)20-18(19)16-10-8-9-14(4)13-16/h8-10,13,15,17H,5-7,11-12H2,1-4H3
InChIKey BKKCNWVZPIUMME-UHFFFAOYSA-N
Molecular Weight 276.420 g/mol
SMILES C(OC(c1cccc(c1)C)=O)(CC)CCC(CC)CC
SPLASH splash10-014l-9500000000-8159b44233bccabf951f
Source of Spectrum NP-8-7077-0
Synonyms m-Toluic acid, 6-ethyl-3-octyl ester 3-Methylbenzoic acid 6-ethyloctan-3-yl ester 6-Ethyloctan-3-yl 3-methylbenzoate
Wiley ID 1107549