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Sebacic acid, geranyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, geranyl undecyl ester
SpectraBase Compound ID JjHieDA06Ni
InChI InChI=1S/C31H56O4/c1-5-6-7-8-9-10-13-16-19-26-34-30(32)23-17-14-11-12-15-18-24-31(33)35-27-25-29(4)22-20-21-28(2)3/h21,25H,5-20,22-24,26-27H2,1-4H3/b29-25+
InChIKey SHJCZEHSBOFEON-XLVZBRSZSA-N
Mol Weight 492.8 g/mol
Molecular Formula C31H56O4
Exact Mass 492.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AtUn7yAEqce
Name Sebacic acid, geranyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.417860279 u
Formula C31H56O4
InChI InChI=1S/C31H56O4/c1-5-6-7-8-9-10-13-16-19-26-34-30(32)23-17-14-11-12-15-18-24-31(33)35-27-25-29(4)22-20-21-28(2)3/h21,25H,5-20,22-24,26-27H2,1-4H3/b29-25+
InChIKey SHJCZEHSBOFEON-XLVZBRSZSA-N
Molecular Weight 492.785 g/mol
SMILES C(=CCC\C(=C\COC(CCCCCCCCC(OCCCCCCCCCCC)=O)=O)C)(C)C