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Octyl 4-methylbenzoate

View entire compound with spectra: 1 MS (GC)

Octyl 4-methylbenzoate
SpectraBase Compound ID t1cUsCc4yp
InChI InChI=1S/C16H24O2/c1-3-4-5-6-7-8-13-18-16(17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3
InChIKey MGRDBXFNMFBCLH-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnqpLEoo2aN
Name Octyl 4-methylbenzoate
Alternate Name(s) 4-Methylbenzoic acid octyl ester p-Toluic acid, octyl ester p-Toluylic acid, octyl ester
CAS Registry Number 69199-34-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-3-4-5-6-7-8-13-18-16(17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3
InChIKey MGRDBXFNMFBCLH-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES CCCCCCCCOC(c1ccc(C)cc1)=O
SPLASH splash10-00kr-4900000000-e0ac7912abf8f1862887
Source of Spectrum IC-682-0-0
Wiley ID 1251590