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Methyl 2-(phenylmethyl)-4-phenylpentanoate isomer
SpectraBase Compound ID 4sDcZEXQtbB
InChI InChI=1S/C19H22O2/c1-15(17-11-7-4-8-12-17)13-18(19(20)21-2)14-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3
InChIKey PGJJKBXEPDZPLL-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C19H22O2
Exact Mass 282.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELUlvxjqMt6
Name Methyl 2-(phenylmethyl)-4-phenylpentanoate isomer
Alternate Name(s) Methyl 2-(phenylmethyl)-4-phenylpentanoate Methyl 2-benzyl-4-phenylpentanoate
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Formula C19H22O2
InChI InChI=1S/C19H22O2/c1-15(17-11-7-4-8-12-17)13-18(19(20)21-2)14-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3
InChIKey PGJJKBXEPDZPLL-UHFFFAOYSA-N
Molecular Weight 282.383 g/mol
SMILES C(C(CC(c1ccccc1)C)Cc1ccccc1)(=O)OC
SPLASH splash10-03di-1900000000-afded0b03010d68676c0
Source of Spectrum E1-40-2529-17
Wiley ID 1519748