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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 H68uazj4TWS
Name para-Cresol octanoate
CAS Registry Number 59558-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
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 c1c(ccc(c1)C)OC(=O)CCCCCCC
SPLASH splash10-0a4i-6900000000-6cdc1eb4ae352131a29e
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Cresol octanoate
Wiley ID 1886141