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ethyl 2-benzoyl-5-ethyl-3-(4-methoxyphenyl)octanoate
SpectraBase Compound ID Ih2IpeeEeA5
InChI InChI=1S/C26H34O4/c1-5-11-19(6-2)18-23(20-14-16-22(29-4)17-15-20)24(26(28)30-7-3)25(27)21-12-9-8-10-13-21/h8-10,12-17,19,23-24H,5-7,11,18H2,1-4H3
InChIKey KDJVYNGMRFOJAA-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EevsdZMBaDd
Name ethyl 2-benzoyl-5-ethyl-3-(4-methoxyphenyl)octanoate
Appearance Brown oily liquid
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Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-5-11-19(6-2)18-23(20-14-16-22(29-4)17-15-20)24(26(28)30-7-3)25(27)21-12-9-8-10-13-21/h8-10,12-17,19,23-24H,5-7,11,18H2,1-4H3
InChIKey KDJVYNGMRFOJAA-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 410.554 g/mol
SMILES C(CC(C(C(=O)c1ccccc1)C(=O)OCC)c1ccc(cc1)OC)(CC)CCC
SPLASH splash10-0a4i-0901000000-e1927040237e13dfb20a
Sample Comments dr = 1.1:1
Source of Spectrum CN108640839A
Wiley ID 1872458