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6-Octen-1-ol, 8-(1-ethoxyethoxy)-2,6-dimethyl-, 4-methylbenzenesulfonate
SpectraBase Compound ID nRDtqFZEiK
InChI InChI=1S/C21H34O5S/c1-5-24-15-16-25-14-13-18(2)7-6-8-20(4)17-26-27(22,23)21-11-9-19(3)10-12-21/h9-13,20H,5-8,14-17H2,1-4H3/b18-13+/t20-/m0/s1
InChIKey KAJBYLZPJWPINH-ZPBCLNFZSA-N
Mol Weight 398.6 g/mol
Molecular Formula C21H34O5S
Exact Mass 398.212695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyXF7mnPJeM
Name 6-Octen-1-ol, 8-(1-ethoxyethoxy)-2,6-dimethyl-, 4-methylbenzenesulfonate
Alternate Name(s) (2S,6E)-8-(2-ethoxyethoxy)-2,6-dimethyl-6-octenyl 4-methylbenzenesulfonate (E)-(S)-(+)-8-(1-ethoxy)ethoxy-2,6-dimethyl-6-octenyl p-toluene-sulfonate (E)-(S)-(+)-8-(1-ethoxy)ethoxy-2,6-dimethyl-oct-6-enyl p-toluene-sulfonate
CAS Registry Number 116163-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O5S
InChI InChI=1S/C21H34O5S/c1-5-24-15-16-25-14-13-18(2)7-6-8-20(4)17-26-27(22,23)21-11-9-19(3)10-12-21/h9-13,20H,5-8,14-17H2,1-4H3/b18-13+/t20-/m0/s1
InChIKey KAJBYLZPJWPINH-ZPBCLNFZSA-N
Molecular Weight 398.558 g/mol
SMILES c1(S(OC[C@](CCC\C(=C\COCCOCC)C)(C)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0abc-9201000000-967c02ac122fd45c71d8
Source of Spectrum F-43-4484-12
Wiley ID 1368373