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Sebacic acid, decyl geranyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl geranyl ester
SpectraBase Compound ID 1m83U8Z3Nbq
InChI InChI=1S/C30H54O4/c1-5-6-7-8-9-12-15-18-25-33-29(31)22-16-13-10-11-14-17-23-30(32)34-26-24-28(4)21-19-20-27(2)3/h20,24H,5-19,21-23,25-26H2,1-4H3/b28-24+
InChIKey BPRBASGIFRBDPM-ZZIIXHQDSA-N
Mol Weight 478.8 g/mol
Molecular Formula C30H54O4
Exact Mass 478.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34yp4p1nRvw
Name Sebacic acid, decyl geranyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.402210215 u
Formula C30H54O4
InChI InChI=1S/C30H54O4/c1-5-6-7-8-9-12-15-18-25-33-29(31)22-16-13-10-11-14-17-23-30(32)34-26-24-28(4)21-19-20-27(2)3/h20,24H,5-19,21-23,25-26H2,1-4H3/b28-24+
InChIKey BPRBASGIFRBDPM-ZZIIXHQDSA-N
Molecular Weight 478.758 g/mol
SMILES C(=CCC\C(=C\COC(CCCCCCCCC(OCCCCCCCCCC)=O)=O)C)(C)C