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4,4-bis(Phenylsulfonyl)-8-(methoxycarbonyloxy)oct-1-en-6-yne
SpectraBase Compound ID IKg42Gw4hRp
InChI InChI=1S/C22H22O7S2/c1-3-16-22(17-10-11-18-29-21(23)28-2,30(24,25)19-12-6-4-7-13-19)31(26,27)20-14-8-5-9-15-20/h3-9,12-15H,1,16-18H2,2H3
InChIKey AAVFBTMEJQTPOU-UHFFFAOYSA-N
Mol Weight 462.53 g/mol
Molecular Formula C22H22O7S2
Exact Mass 462.080695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26GpADYFA4G
Name 4,4-bis(Phenylsulfonyl)-8-(methoxycarbonyloxy)oct-1-en-6-yne
Alternate Name(s) 5,5-bis(phenylsulfonyl)-7-octen-2-ynyl methyl carbonate
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Formula C22H22O7S2
InChI InChI=1S/C22H22O7S2/c1-3-16-22(17-10-11-18-29-21(23)28-2,30(24,25)19-12-6-4-7-13-19)31(26,27)20-14-8-5-9-15-20/h3-9,12-15H,1,16-18H2,2H3
InChIKey AAVFBTMEJQTPOU-UHFFFAOYSA-N
Molecular Weight 462.531 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)(CC#CCOC(=O)OC)CC=C
SPLASH splash10-004i-9400000000-b046c43fef5449fbf1d7
Source of Spectrum H-80-632-8
Wiley ID 1390952