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1,3-Tetradecanediol, 1-(4-methylbenzenesulfonate), (S)-
SpectraBase Compound ID LQtwJEtUciD
InChI InChI=1S/C21H36O4S/c1-3-4-5-6-7-8-9-10-11-12-20(22)17-18-25-26(23,24)21-15-13-19(2)14-16-21/h13-16,20,22H,3-12,17-18H2,1-2H3/t20-/m0/s1
InChIKey UIILHJCLJWAJHW-FQEVSTJZSA-N
Mol Weight 384.6 g/mol
Molecular Formula C21H36O4S
Exact Mass 384.233431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JODKOfh1s20
Name 1,3-Tetradecanediol, 1-(4-methylbenzenesulfonate), (S)-
Alternate Name(s) (+)-(3S)-1-(Tosyloxy)tetradecan-3-ol (3S)-3-hydroxytetradecyl 4-methylbenzenesulfonate
CAS Registry Number 110971-17-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4S
InChI InChI=1S/C21H36O4S/c1-3-4-5-6-7-8-9-10-11-12-20(22)17-18-25-26(23,24)21-15-13-19(2)14-16-21/h13-16,20,22H,3-12,17-18H2,1-2H3/t20-/m0/s1
InChIKey UIILHJCLJWAJHW-FQEVSTJZSA-N
Molecular Weight 384.575 g/mol
SMILES O[C@](CCOS(c1ccc(cc1)C)(=O)=O)(CCCCCCCCCCC)[H]
SPLASH splash10-0ika-0920200000-222b5cd6ca60a3dd9e1f
Source of Spectrum C-109-7492-24
Wiley ID 1361577