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Octanoic acid, P-tolyl ester

View entire compound with spectra: 3 NMR, 4 FTIR, and 7 MS (GC)

Octanoic acid, P-tolyl ester
SpectraBase Compound ID 453IslC5atI
InChI InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3
InChIKey ALRYNTSLFYRKGF-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 DFsbqPuCX6q
Name Octanoic acid, 4-methylphenyl ester
Alternate Name(s) 4-Methylphenyl octanoate caprylic acid p-tolyl ester Cresyl octanoate, p- Methylphenyl octanoate, p- n-Octanoic acid p-tolyl ester Octanoic acid, p-tolyl ester Narcissin K p-Cresyl caprylate Octanoic acid (4-methylphenyl) ester p-Cresyl capyrlate p-Cresyl octanoate p-Tolyl n-octanoate p-Tolyl octanoate para-Tolyl octanoate Tolyl octanoate, p- AI3-31049 BRN 3270557 EINECS 261-803-1 FEMA NO. 3733
CAS Registry Number 59558-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3
InChIKey ALRYNTSLFYRKGF-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES c1cc(ccc1C)OC(CCCCCCC)=O
SPLASH splash10-0a4i-6910000000-487c1d7473a7e6bd4e0e
Source of Spectrum LQ-1992-1283-0
Wiley ID 1236377