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1-Methyltridecyl phenylacetate
SpectraBase Compound ID Lif7xscT8lo
InChI InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-13-16-20(2)24-22(23)19-21-17-14-12-15-18-21/h12,14-15,17-18,20H,3-11,13,16,19H2,1-2H3
InChIKey MRHNPBPNYYDNIB-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATKOo50utbz
Name 1-Methyltridecyl phenylacetate
Alternate Name(s) Benzeneacetic acid, 2-tetradecyl ester 2-Phenylacetic acid tetradecan-2-yl ester Tetradecan-2-yl 2-phenylacetate 1-Methyltridecyl 2-phenylacetate Tetradecan-2-yl 2-phenylethanoate
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Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-13-16-20(2)24-22(23)19-21-17-14-12-15-18-21/h12,14-15,17-18,20H,3-11,13,16,19H2,1-2H3
InChIKey MRHNPBPNYYDNIB-UHFFFAOYSA-N
Molecular Weight 332.528 g/mol
SMILES c1cc(CC(OC(C)CCCCCCCCCCCC)=O)ccc1
SPLASH splash10-052f-9000000000-6464bfea1eb170067177
Source of Spectrum NP-11-8810-0
Wiley ID 1109948