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2,5-Dihydroxy-2-methyl-8-(tetrahydro-2-methoxy-pyran-2-yl)-oct-7-yn-1-yl toluene-P-sulfonate
SpectraBase Compound ID 8jyoXUNSSY9
InChI InChI=1S/C22H32O7S/c1-18-8-10-20(11-9-18)30(25,26)29-17-21(2,24)15-12-19(23)7-6-14-22(27-3)13-4-5-16-28-22/h8-11,19,23-24H,4-5,7,12-13,15-17H2,1-3H3
InChIKey AMZUJROFRTWDOS-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C22H32O7S
Exact Mass 440.186875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5v7msDTOxQ5
Name 2,5-Dihydroxy-2-methyl-8-(tetrahydro-2-methoxypyran-2-yl)oct-7-yn-1-yl toluene-p-sulphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O7S
InChI InChI=1S/C22H32O7S/c1-18-8-10-20(11-9-18)30(25,26)29-17-21(2,24)15-12-19(23)7-6-14-22(27-3)13-4-5-16-28-22/h8-11,19,23-24H,4-5,7,12-13,15-17H2,1-3H3
InChIKey AMZUJROFRTWDOS-UHFFFAOYSA-N
Molecular Weight 440.551 g/mol
SMILES OC(CCC(COS(c1ccc(cc1)C)(=O)=O)(O)C)CC#CC1(OCCCC1)OC
SPLASH splash10-06di-0940000000-173972476021d7d537a6
Source of Spectrum KC-1991-2225-7
Synonyms 2,5-Dihydroxy-8-(2-methoxytetrahydro-2H-pyran-2-yl)-2-methyl-7-octynyl 4-methylbenzenesulfonate
Wiley ID 1384612