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Cyclododecanol, 1-[2-methyl-3-[(4-methylphenyl)thio]propyl]-, (S)-
SpectraBase Compound ID Emudl6LDqV7
InChI InChI=1S/C23H38OS/c1-20-12-14-22(15-13-20)25-19-21(2)18-23(24)16-10-8-6-4-3-5-7-9-11-17-23/h12-15,21,24H,3-11,16-19H2,1-2H3/t21-/m0/s1
InChIKey DALKVHURDCKEKU-NRFANRHFSA-N
Mol Weight 362.6 g/mol
Molecular Formula C23H38OS
Exact Mass 362.264337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSXLGvq7M0O
Name Cyclododecanol, 1-[2-methyl-3-[(4-methylphenyl)thio]propyl]-, (S)-
Comments Computed using HOSE algorithm
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Exact Mass 362.264337017 u
Formula C23H38OS
InChI InChI=1S/C23H38OS/c1-20-12-14-22(15-13-20)25-19-21(2)18-23(24)16-10-8-6-4-3-5-7-9-11-17-23/h12-15,21,24H,3-11,16-19H2,1-2H3/t21-/m0/s1
InChIKey DALKVHURDCKEKU-NRFANRHFSA-N
Molecular Weight 362.616 g/mol
SMILES C1(C[C@@](CSC=2C=CC(=CC2)C)(C)[H])(O)CCCCCCCCCCC1