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Succinic acid, 2-ethylhexyl 4-(4-methoxyphenyl)cyclohexyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-ethylhexyl 4-(4-methoxyphenyl)cyclohexyl ester
SpectraBase Compound ID HfsSyczCL6U
InChI InChI=1S/C25H38O5/c1-4-6-7-19(5-2)18-29-24(26)16-17-25(27)30-23-14-10-21(11-15-23)20-8-12-22(28-3)13-9-20/h8-9,12-13,19,21,23H,4-7,10-11,14-18H2,1-3H3
InChIKey NEJNFHXTOKTMJU-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVrLiHHim00
Name Succinic acid, 2-ethylhexyl 4-(4-methoxyphenyl)cyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.271924319 u
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-4-6-7-19(5-2)18-29-24(26)16-17-25(27)30-23-14-10-21(11-15-23)20-8-12-22(28-3)13-9-20/h8-9,12-13,19,21,23H,4-7,10-11,14-18H2,1-3H3
InChIKey NEJNFHXTOKTMJU-UHFFFAOYSA-N
Molecular Weight 418.574 g/mol
SMILES C(CC(OCC(CC)CCCC)=O)C(OC1CCC(C2=CC=C(C=C2)OC)CC1)=O