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Glutaric acid, hept-2-yl farnesyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, hept-2-yl farnesyl ester
SpectraBase Compound ID 25edJHyEmO0
InChI InChI=1S/C27H46O4/c1-7-8-9-17-25(6)31-27(29)19-12-18-26(28)30-21-20-24(5)16-11-15-23(4)14-10-13-22(2)3/h13,15,20,25H,7-12,14,16-19,21H2,1-6H3/b23-15+,24-20+
InChIKey BGBJLEOJLRDWIX-OJMJSWISSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7okn4lQ1Q9p
Name Glutaric acid, hept-2-yl farnesyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.339609957 u
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-7-8-9-17-25(6)31-27(29)19-12-18-26(28)30-21-20-24(5)16-11-15-23(4)14-10-13-22(2)3/h13,15,20,25H,7-12,14,16-19,21H2,1-6H3/b23-15+,24-20+
InChIKey BGBJLEOJLRDWIX-OJMJSWISSA-N
Molecular Weight 434.661 g/mol
SMILES C(CCC(OC(C)CCCCC)=O)C(OC\C=C\(CC\C=C\(CCC=C(C)C)C)C)=O