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(E)-7-(4-Methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid, tms

View entire compound with spectra: 1 NMR

(E)-7-(4-Methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid, tms
SpectraBase Compound ID JUBdMV8Vf9n
InChI InChI=1S/C19H30O5Si/c1-13(9-8-10-18(20)24-25(5,6)7)11-14(2)16-12-17(22-4)15(3)19(21)23-16/h11-13H,8-10H2,1-7H3/b14-11+
InChIKey OOYNDRQAOMHYQH-SDNWHVSQSA-N
Mol Weight 366.53 g/mol
Molecular Formula C19H30O5Si
Exact Mass 366.186251 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AoHazz6C757
Name (E)-7-(4-Methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 366.186250596 u
Formula C19H30O5Si
InChI InChI=1S/C19H30O5Si/c1-13(9-8-10-18(20)24-25(5,6)7)11-14(2)16-12-17(22-4)15(3)19(21)23-16/h11-13H,8-10H2,1-7H3/b14-11+
InChIKey OOYNDRQAOMHYQH-SDNWHVSQSA-N
Molecular Weight 366.529 g/mol
SMILES C1(\C(C)=C\C(C)CCCC(O[Si](C)(C)C)=O)=CC(=C(C(O1)=O)C)OC