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Cyclododecanol, 1-[2-methyl-3-[(4-methylphenyl)sulfonyl]propyl]-, (R)-
SpectraBase Compound ID 4DQxTSzgT57
InChI InChI=1S/C23H38O3S/c1-20-12-14-22(15-13-20)27(25,26)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-/m1/s1
InChIKey NIJHZWSEHKBIOO-OAQYLSRUSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H38O3S
Exact Mass 394.254166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoaGNAapHts
Name Cyclododecanol, 1-[2-methyl-3-[(4-methylphenyl)sulfonyl]propyl]-, (R)-
Alternate Name(s) (R)-(-)-1-(2-methyl-3-(p-tolylsulfonyl)-propyl)cyclododecanol 1-{(2R)-2-methyl-3-[(4-methylphenyl)sulfonyl]propyl}cyclododecanol
CAS Registry Number 63930-56-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O3S
InChI InChI=1S/C23H38O3S/c1-20-12-14-22(15-13-20)27(25,26)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-/m1/s1
InChIKey NIJHZWSEHKBIOO-OAQYLSRUSA-N
Molecular Weight 394.614 g/mol
SMILES OC1(C[C@](CS(c2ccc(cc2)C)(=O)=O)(C)[H])CCCCCCCCCCC1
SPLASH splash10-07cs-8930000000-75b443d27bbe59451370
Source of Spectrum H-60-942-0
Wiley ID 1366739