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2-Octene-1,8-diol, 3,7-dimethyl-, 8-(4-methylbenzenesulfonate), [S-(E)]-
SpectraBase Compound ID KWSbzPC0UHb
InChI InChI=1S/C17H26O4S/c1-14(11-12-18)5-4-6-16(3)13-21-22(19,20)17-9-7-15(2)8-10-17/h7-11,16,18H,4-6,12-13H2,1-3H3/b14-11+/t16-/m0/s1
InChIKey KYTIQFGLLRGTAG-UKYUDJEDSA-N
Mol Weight 326.45 g/mol
Molecular Formula C17H26O4S
Exact Mass 326.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5FDZ11Fp8n
Name 2-Octene-1,8-diol, 3,7-dimethyl-, 8-(4-methylbenzenesulfonate), [S-(E)]-
CAS Registry Number 116163-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O4S
InChI InChI=1S/C17H26O4S/c1-14(11-12-18)5-4-6-16(3)13-21-22(19,20)17-9-7-15(2)8-10-17/h7-11,16,18H,4-6,12-13H2,1-3H3/b14-11+/t16-/m0/s1
InChIKey KYTIQFGLLRGTAG-UKYUDJEDSA-N
Molecular Weight 326.451 g/mol
SMILES OC\C=C\(CCC[C@@](COS(c1ccc(cc1)C)(=O)=O)(C)[H])C
SPLASH splash10-00di-6900000000-4e4a9158d1f72e8dd4bb
Source of Spectrum F-43-4484-11
Synonyms (2S,6E)-8-hydroxy-2,6-dimethyl-6-octenyl 4-methylbenzenesulfonate (E)-(S)-(+)-3,7-dimethyl-8-(p-tolysulfonyloxy)oct-2-enol (E)-(S)-(+)-3,7-dimethyl-8-[(p-tolylsulfonyl)oxy]-2-octen-1-ol
Wiley ID 1324661