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ethyl 2-benzoyl-4-cyclohexyl-3-(p-tolyl)butanoate
SpectraBase Compound ID hMTpNjbrY6
InChI InChI=1S/C26H32O3/c1-3-29-26(28)24(25(27)22-12-8-5-9-13-22)23(18-20-10-6-4-7-11-20)21-16-14-19(2)15-17-21/h5,8-9,12-17,20,23-24H,3-4,6-7,10-11,18H2,1-2H3
InChIKey SLEYITVREAIXQB-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C26H32O3
Exact Mass 392.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88xt87n3Nha
Name ethyl 2-benzoyl-4-cyclohexyl-3-(p-tolyl)butanoate
Appearance Pale yellow oily liquid
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Formula C26H32O3
InChI InChI=1S/C26H32O3/c1-3-29-26(28)24(25(27)22-12-8-5-9-13-22)23(18-20-10-6-4-7-11-20)21-16-14-19(2)15-17-21/h5,8-9,12-17,20,23-24H,3-4,6-7,10-11,18H2,1-2H3
InChIKey SLEYITVREAIXQB-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 392.539 g/mol
Reported Formula C26H33O3
SMILES C(CC1CCCCC1)(C(C(=O)c1ccccc1)C(=O)OCC)c1ccc(cc1)C
SPLASH splash10-0a4i-0920000000-018dc1cfd3dbd4ad048b
Sample Comments dr = 1.3:1
Source of Spectrum CN108640839A
Wiley ID 1872467