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6-[12(Z)-Nonadecenyl]salicylic acid (2tms)
SpectraBase Compound ID 8z0hKcWbngA
InChI InChI=1S/C32H58O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-27-25-28-30(34-36(2,3)4)31(29)32(33)35-37(5,6)7/h13-14,25,27-28H,8-12,15-24,26H2,1-7H3/b14-13-
InChIKey XKABAQWKVSFZDL-YPKPFQOOSA-N
Mol Weight 547.0 g/mol
Molecular Formula C32H58O3Si2
Exact Mass 546.392449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SdZQ9iOba4
Name 6-[12(Z)-Nonadecenyl]salicylic acid (2tms)
Comments Computed using HOSE algorithm
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Exact Mass 546.392448795 u
Formula C32H58O3Si2
InChI InChI=1S/C32H58O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29-27-25-28-30(34-36(2,3)4)31(29)32(33)35-37(5,6)7/h13-14,25,27-28H,8-12,15-24,26H2,1-7H3/b14-13-
InChIKey XKABAQWKVSFZDL-YPKPFQOOSA-N
Molecular Weight 546.983 g/mol
SMILES C(C1=C(C=CC=C1O[Si](C)(C)C)CCCCCCCCCCC\C=C/CCCCCC)(=O)O[Si](C)(C)C