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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BpntOkXPkN
Name Cyclododecanol, 1-[2-methyl-3-[(4-methylphenyl)thio]propyl]-, (S)-
Alternate Name(s) (R)-(-)-1-(2-methyl)-3-(p-tolylthio)-propyl)cyclododecanol 1-{(2S)-2-methyl-3-[(4-methylphenyl)sulfanyl]propyl}cyclododecanol
CAS Registry Number 63930-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC1(C[C@@](CSc2ccc(cc2)C)(C)[H])CCCCCCCCCCC1
SPLASH splash10-03di-3902000000-5583f18735de780938c6
Source of Spectrum H-60-942-0
Wiley ID 1349969