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cis,trans-2,7-Bis[di(phenylsulfonyl)methyl]spiro[4.4]nona-1,6-diene
SpectraBase Compound ID 3KOdtuWzg0a
InChI InChI=1S/C35H32O8S4/c36-44(37,29-13-5-1-6-14-29)33(45(38,39)30-15-7-2-8-16-30)27-21-23-35(25-27)24-22-28(26-35)34(46(40,41)31-17-9-3-10-18-31)47(42,43)32-19-11-4-12-20-32/h1-24,27-28,33-34H,25-26H2/t27-,28-,35?/m1/s1
InChIKey RMPYOHVNYOOHOY-BEUNPLSASA-N
Mol Weight 708.9 g/mol
Molecular Formula C35H32O8S4
Exact Mass 708.098003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CDaZAJh5of
Name cis,trans-2,7-Bis[di(phenylsulfonyl)methyl]spiro[4.4]nona-1,6-diene
Alternate Name(s) (3S,8S)-3,8-Bis-(bis-benzenesulfonyl-methyl)-spiro[4.4]nona-1,6-diene 2,7-bis[bis(phenylsulfonyl)methyl]spiro[4.4]nona-1,6-diene
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Formula C35H32O8S4
InChI InChI=1S/C35H32O8S4/c36-44(37,29-13-5-1-6-14-29)33(45(38,39)30-15-7-2-8-16-30)27-21-23-35(25-27)24-22-28(26-35)34(46(40,41)31-17-9-3-10-18-31)47(42,43)32-19-11-4-12-20-32/h1-24,27-28,33-34H,25-26H2/t27-,28-,35?/m1/s1
InChIKey RMPYOHVNYOOHOY-BEUNPLSASA-N
Molecular Weight 708.873 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(S(=O)(=O)c1ccccc1)[C@@]1(C=CC2(C1)C=C[C@@](C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)(C2)[H])[H]
SPLASH splash10-004i-3900000000-6d7b9183068dff068391
Source of Spectrum F-55-6711-12
Wiley ID 838006