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Sebacic acid, geranyl hexyl ester

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

Sebacic acid, geranyl hexyl ester
SpectraBase Compound ID D789zfs2smH
InChI InChI=1S/C26H46O4/c1-5-6-7-14-21-29-25(27)18-12-10-8-9-11-13-19-26(28)30-22-20-24(4)17-15-16-23(2)3/h16,20H,5-15,17-19,21-22H2,1-4H3/b24-20+
InChIKey YEDOSFOXPPZYGC-HIXSDJFHSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYsLD8WhPLb
Name Sebacic acid, geranyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-5-6-7-14-21-29-25(27)18-12-10-8-9-11-13-19-26(28)30-22-20-24(4)17-15-16-23(2)3/h16,20H,5-15,17-19,21-22H2,1-4H3/b24-20+
InChIKey YEDOSFOXPPZYGC-HIXSDJFHSA-N
Molecular Weight 422.650 g/mol
SMILES C(=CCC\C(=C\COC(CCCCCCCCC(OCCCCCC)=O)=O)C)(C)C