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Heptane, 1,7-bis(methoxysulfonyl)-4-phenylsulfonyl-
SpectraBase Compound ID 16SDYYif3UB
InChI InChI=1S/C15H24O8S3/c1-22-24(16,17)12-6-10-15(11-7-13-25(18,19)23-2)26(20,21)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13H2,1-2H3
InChIKey STQWNSNDHLOFRW-UHFFFAOYSA-N
Mol Weight 428.53 g/mol
Molecular Formula C15H24O8S3
Exact Mass 428.063331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAUhlgBKiRA
Name Heptane, 1,7-bis(methoxysulfonyl)-4-phenylsulfonyl-
Alternate Name(s) 4-(benzenesulfonyl)heptane-1,7-disulfonic acid dimethyl ester 4-besylheptane-1,7-disulfonic acid dimethyl ester Dimethyl 4-(benzenesulfonyl)heptane-1,7-disulfonate Dimethyl 4-(phenylsulfonyl)-1,7-heptanedisulfonate Dimethyl 4-(phenylsulfonyl)heptane-1,7-disulfonate
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Formula C15H24O8S3
InChI InChI=1S/C15H24O8S3/c1-22-24(16,17)12-6-10-15(11-7-13-25(18,19)23-2)26(20,21)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13H2,1-2H3
InChIKey STQWNSNDHLOFRW-UHFFFAOYSA-N
Molecular Weight 428.529 g/mol
SMILES c1ccc(S(C(CCCS(OC)(=O)=O)CCCS(=O)(=O)OC)(=O)=O)cc1
SPLASH splash10-0002-9110000000-8bc743211e260f73aa26
Wiley ID 1494744