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Succinic acid, dec-2-yl 4-(4-methoxyphenyl)cyclohexyl ester

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Succinic acid, dec-2-yl 4-(4-methoxyphenyl)cyclohexyl ester
SpectraBase Compound ID 6rWxDIuUaed
InChI InChI=1S/C27H42O5/c1-4-5-6-7-8-9-10-21(2)31-26(28)19-20-27(29)32-25-17-13-23(14-18-25)22-11-15-24(30-3)16-12-22/h11-12,15-16,21,23,25H,4-10,13-14,17-20H2,1-3H3
InChIKey CJNDZFWCIJKSPC-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C27H42O5
Exact Mass 446.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFwklDhDeWX
Name Succinic acid, dec-2-yl 4-(4-methoxyphenyl)cyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.303224447 u
Formula C27H42O5
InChI InChI=1S/C27H42O5/c1-4-5-6-7-8-9-10-21(2)31-26(28)19-20-27(29)32-25-17-13-23(14-18-25)22-11-15-24(30-3)16-12-22/h11-12,15-16,21,23,25H,4-10,13-14,17-20H2,1-3H3
InChIKey CJNDZFWCIJKSPC-UHFFFAOYSA-N
Molecular Weight 446.628 g/mol
SMILES C(CC(OC(CCCCCCCC)C)=O)C(OC1CCC(C2=CC=C(C=C2)OC)CC1)=O