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Succinic acid, 2-ethylhexyl 1-phenylpropyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-ethylhexyl 1-phenylpropyl ester
SpectraBase Compound ID JpAkm5K4oCR
InChI InChI=1S/C21H32O4/c1-4-7-11-17(5-2)16-24-20(22)14-15-21(23)25-19(6-3)18-12-9-8-10-13-18/h8-10,12-13,17,19H,4-7,11,14-16H2,1-3H3
InChIKey IFVWJMSGEVBIES-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bm8J5FpMkzN
Name Succinic acid, 2-ethylhexyl 1-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.230059506 u
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-4-7-11-17(5-2)16-24-20(22)14-15-21(23)25-19(6-3)18-12-9-8-10-13-18/h8-10,12-13,17,19H,4-7,11,14-16H2,1-3H3
InChIKey IFVWJMSGEVBIES-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES C(CC(OCC(CC)CCCC)=O)C(OC(CC)C1=CC=CC=C1)=O