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12'-Apo-.kappa.,.psi.-carotenal, 8-hydroxy-6-oxo-, (5R)-
SpectraBase Compound ID HSSwDVjIsIJ
InChI InChI=1S/C25H34O3/c1-19(11-7-8-12-20(2)18-26)13-9-14-21(3)22(27)17-23(28)25(6)16-10-15-24(25,4)5/h7-9,11-14,17-18,27H,10,15-16H2,1-6H3/b8-7+,13-9+,19-11+,20-12+,21-14+,22-17-/t25-/m0/s1
InChIKey HMQHFCMMDSIDNI-NEUZRWBESA-N
Mol Weight 382.5 g/mol
Molecular Formula C25H34O3
Exact Mass 382.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCw4dKh6b4s
Name 12'-apo-.Kappa.,.psi.-carotenal, 8-hydroxy-6-oxo-, (5R)-
Comments Computed using HOSE algorithm
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Exact Mass 382.250794952 u
Formula C25H34O3
InChI InChI=1S/C25H34O3/c1-19(11-7-8-12-20(2)18-26)13-9-14-21(3)22(27)17-23(28)25(6)16-10-15-24(25,4)5/h7-9,11-14,17-18,27H,10,15-16H2,1-6H3/b8-7+,13-9+,19-11+,20-12+,21-14+,22-17-/t25-/m0/s1
InChIKey HMQHFCMMDSIDNI-NEUZRWBESA-N
Molecular Weight 382.544 g/mol
SMILES C(\C=C\(\C(=C\C=C\C(=C\C=C\C=C\(C=O)C)C)C)O)([C@]1(C(CCC1)(C)C)C)=O