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4-[(3R)-1,1-Bis(phenylsulfonyl)-3-nonoxy]-(E)-2-hexenyl methyl carbonate
SpectraBase Compound ID 76Tws4b4I3r
InChI InChI=1S/C29H40O8S2/c1-4-6-7-10-16-25(37-24(5-2)17-15-22-36-29(30)35-3)23-28(38(31,32)26-18-11-8-12-19-26)39(33,34)27-20-13-9-14-21-27/h8-9,11-15,17-21,24-25,28H,4-7,10,16,22-23H2,1-3H3/b17-15+/t24?,25-/m0/s1
InChIKey XHIFVNACUBBXAQ-OJDWEHHZSA-N
Mol Weight 580.8 g/mol
Molecular Formula C29H40O8S2
Exact Mass 580.216461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GFi10TJ9HN
Name 4-[(3R)-1,1-Bis(phenylsulfonyl)-3-nonoxy]-(E)-2-hexenyl methyl carbonate
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Formula C29H40O8S2
InChI InChI=1S/C29H40O8S2/c1-4-6-7-10-16-25(37-24(5-2)17-15-22-36-29(30)35-3)23-28(38(31,32)26-18-11-8-12-19-26)39(33,34)27-20-13-9-14-21-27/h8-9,11-15,17-21,24-25,28H,4-7,10,16,22-23H2,1-3H3/b17-15+/t24?,25-/m0/s1
InChIKey XHIFVNACUBBXAQ-OJDWEHHZSA-N
Molecular Weight 580.751 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)C[C@@](OC(\C=C\COC(=O)OC)CC)(CCCCCC)[H]
SPLASH splash10-0a59-9610200000-2b23b2e76a02ceecf428
Source of Spectrum F-51-163-11
Synonyms (2E)-4-({(1R)-1-[2,2-bis(phenylsulfonyl)ethyl]heptyl}oxy)-2-hexenyl methyl carbonate Carbonic acid (E)-4-[(S)-1-(2,2-bis-benzenesulfonyl-ethyl)-heptyloxy]-hex-2-enyl ester methyl ester
Wiley ID 790461