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(3R,4S)-Diethyl 3-Phenylselenomethyl-4-tosylmethylcyclopentandioate
SpectraBase Compound ID 2dE0Jir4ltz
InChI InChI=1S/C26H32O6SSe/c1-4-31-24(27)26(25(28)32-5-2)15-20(17-33(29,30)22-13-11-19(3)12-14-22)21(16-26)18-34-23-9-7-6-8-10-23/h6-14,20-21H,4-5,15-18H2,1-3H3/t20-,21+/m1/s1
InChIKey QDWKIVRBMYRKAT-RTWAWAEBSA-N
Mol Weight 551.6 g/mol
Molecular Formula C26H32O6SSe
Exact Mass 552.108482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YT8t0VJByg
Name (3R,4S)-Diethyl 3-Phenylselenomethyl-4-tosylmethylcyclopentandioate
Alternate Name(s) (3R,4S)-3-Phenylselanylmethyl-4-(toluene-4-sulfonylmethyl)-cyclopentane-1,1-dicarboxylic acid diethyl ester Diethyl (3S,4R)-3-{[(4-methylphenyl)sulfonyl]methyl}-4-[(phenylselanyl)methyl]-1,1-cyclopentanedicarboxylate Diethyl 3-Phenylselenomethyl-4-tosylmethylcyclopentandioate
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Formula C26H32O6SSe
InChI InChI=1S/C26H32O6SSe/c1-4-31-24(27)26(25(28)32-5-2)15-20(17-33(29,30)22-13-11-19(3)12-14-22)21(16-26)18-34-23-9-7-6-8-10-23/h6-14,20-21H,4-5,15-18H2,1-3H3/t20-,21+/m1/s1
InChIKey QDWKIVRBMYRKAT-RTWAWAEBSA-N
Molecular Weight 551.568 g/mol
SMILES C1(C[C@](CS(c2ccc(cc2)C)(=O)=O)([C@@](C1)(C[Se]c1ccccc1)[H])[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-0udj-0008090000-c87d7d699b8325caf749
Source of Spectrum F-50-13548-13
Wiley ID 790322