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5,5-bis(Phenylsulfonyl)octa-2-en-7-ynyl) acetate
SpectraBase Compound ID HT96fQEBQtm
InChI InChI=1S/C22H22O6S2/c1-3-16-22(17-10-11-18-28-19(2)23,29(24,25)20-12-6-4-7-13-20)30(26,27)21-14-8-5-9-15-21/h1,4-15H,16-18H2,2H3/b11-10+
InChIKey OMBFPPDVPXDYPN-ZHACJKMWSA-N
Mol Weight 446.53 g/mol
Molecular Formula C22H22O6S2
Exact Mass 446.085781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RFBbrNVJcw
Name 5,5-bis(Phenylsulfonyl)octa-2-en-7-ynyl) acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O6S2
InChI InChI=1S/C22H22O6S2/c1-3-16-22(17-10-11-18-28-19(2)23,29(24,25)20-12-6-4-7-13-20)30(26,27)21-14-8-5-9-15-21/h1,4-15H,16-18H2,2H3/b11-10+
InChIKey OMBFPPDVPXDYPN-ZHACJKMWSA-N
Molecular Weight 446.532 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)(CC#C)C\C=C\COC(=O)C
SPLASH splash10-004i-9301000000-87376487b887e6a9e2bd
Source of Spectrum H-76-1271-4
Synonyms (2E)-5,5-bis(phenylsulfonyl)-2-octen-7-ynyl acetate
Wiley ID 1386521