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(4E,6E,3S)-3-Benzyloxynona-4,6-dienyl toluene-p-sulfonate
SpectraBase Compound ID DmSkkJCMQ4x
InChI InChI=1S/C23H28O4S/c1-3-4-5-9-12-22(26-19-21-10-7-6-8-11-21)17-18-27-28(24,25)23-15-13-20(2)14-16-23/h4-16,22H,3,17-19H2,1-2H3/b5-4+,12-9+/t22-/m1/s1
InChIKey LRQITMREKIGXAG-UNXBMSESSA-N
Mol Weight 400.53 g/mol
Molecular Formula C23H28O4S
Exact Mass 400.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 421p6GRiVS9
Name (4E,6E,3S)-3-Benzyloxynona-4,6-dienyl toluene-p-sulfonate
Alternate Name(s) (3S,4E,6E)-3-(benzyloxy)-4,6-nonadienyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O4S
InChI InChI=1S/C23H28O4S/c1-3-4-5-9-12-22(26-19-21-10-7-6-8-11-21)17-18-27-28(24,25)23-15-13-20(2)14-16-23/h4-16,22H,3,17-19H2,1-2H3/b5-4+,12-9+/t22-/m1/s1
InChIKey LRQITMREKIGXAG-UNXBMSESSA-N
Molecular Weight 400.533 g/mol
SMILES c1(S(=O)(=O)OCC[C@@](\C=C\C=C\CC)(OCc2ccccc2)[H])ccc(cc1)C
SPLASH splash10-0a4r-0900000000-cbc7aa7d8fe1a4154108
Source of Spectrum KC-0-1118-15
Wiley ID 785680