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Toluene-4-sulfonic acid (7R,14S)-2-(1,8,13,16-tetraoxa-dispiro[5.0.5.4]hexadec-14-yl)-ethyl ester
SpectraBase Compound ID 262x2JeNpCz
InChI InChI=1S/C21H30O7S/c1-17-6-8-19(9-7-17)29(22,23)27-15-10-18-16-26-20(11-2-4-13-24-20)21(28-18)12-3-5-14-25-21/h6-9,18H,2-5,10-16H2,1H3/t18-,20+,21+/m0/s1
InChIKey XJXGABXDYGTYLE-CEWLAPEOSA-N
Mol Weight 426.52 g/mol
Molecular Formula C21H30O7S
Exact Mass 426.171224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8na1BtWfJuK
Name Toluene-4-sulfonic acid (7R,14S)-2-(1,8,13,16-tetraoxa-dispiro[5.0.5.4]hexadec-14-yl)-ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O7S
InChI InChI=1S/C21H30O7S/c1-17-6-8-19(9-7-17)29(22,23)27-15-10-18-16-26-20(11-2-4-13-24-20)21(28-18)12-3-5-14-25-21/h6-9,18H,2-5,10-16H2,1H3/t18-,20+,21+/m0/s1
InChIKey XJXGABXDYGTYLE-CEWLAPEOSA-N
Molecular Weight 426.524 g/mol
SMILES c1(S(=O)(=O)OCC[C@@]2(O[C@@]3(OCCCC3)[C@@]3(OC2)OCCCC3)[H])ccc(cc1)C
SPLASH splash10-0udi-7900000000-a4d37a176a8124d3264b
Source of Spectrum SO-0-54-3
Synonyms (6R,7R,14S)-14-[2-(4-Methylphenylsulphonyl)ethyl]-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecane 2-[(7R,14S)-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadec-14-yl]ethyl 4-methylbenzenesulfonate
Wiley ID 1542893