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Sebacic acid, digeranyl ester

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

Sebacic acid, digeranyl ester
SpectraBase Compound ID AZDk7JITWQM
InChI InChI=1S/C30H50O4/c1-25(2)15-13-17-27(5)21-23-33-29(31)19-11-9-7-8-10-12-20-30(32)34-24-22-28(6)18-14-16-26(3)4/h15-16,21-22H,7-14,17-20,23-24H2,1-6H3/b27-21+,28-22+
InChIKey ZIACLYHJEXVRCW-GPAWKIAZSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RzbtARCQDz
Name Sebacic acid, digeranyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-25(2)15-13-17-27(5)21-23-33-29(31)19-11-9-7-8-10-12-20-30(32)34-24-22-28(6)18-14-16-26(3)4/h15-16,21-22H,7-14,17-20,23-24H2,1-6H3/b27-21+,28-22+
InChIKey ZIACLYHJEXVRCW-GPAWKIAZSA-N
Molecular Weight 474.726 g/mol
SMILES C(=CCC\C(=C\COC(CCCCCCCCC(OC\C=C/(C)CCC=C(C)C)=O)=O)C)(C)C