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4-Phenylseleno-5-(p-toluenesulfonyl)pentyl benzoate
SpectraBase Compound ID B0lciEYnoe0
InChI InChI=1S/C25H26O4SSe/c1-20-14-16-22(17-15-20)30(27,28)19-24(31-23-11-6-3-7-12-23)13-8-18-29-25(26)21-9-4-2-5-10-21/h2-7,9-12,14-17,24H,8,13,18-19H2,1H3
InChIKey BCCPDDGUNGNEQQ-UHFFFAOYSA-N
Mol Weight 501.51 g/mol
Molecular Formula C25H26O4SSe
Exact Mass 502.071702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2sihn03cI8
Name 4-Phenylseleno-5-(p-toluenesulfonyl)pentyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O4SSe
InChI InChI=1S/C25H26O4SSe/c1-20-14-16-22(17-15-20)30(27,28)19-24(31-23-11-6-3-7-12-23)13-8-18-29-25(26)21-9-4-2-5-10-21/h2-7,9-12,14-17,24H,8,13,18-19H2,1H3
InChIKey BCCPDDGUNGNEQQ-UHFFFAOYSA-N
Molecular Weight 501.511 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C([Se]c1ccccc1)CCCOC(=O)c1ccccc1
SPLASH splash10-0a70-0932020000-2034253f0a05d57dabf7
Source of Spectrum SK-23-3557-2
Synonyms 5-[(4-methylphenyl)sulfonyl]-4-(phenylselanyl)pentyl benzoate benzoic acid[4-(phenylseleno)-5-tosyl-pentyl]ester benzoic acid[5-(4-methylphenyl)sulfonyl-4-(phenylseleno)pentyl]ester [4-phenylselanyl-5-(p-tolylsulfonyl)pentyl]benzoate benzoic acid [5-(4-methylphenyl)sulfonyl-4-(phenylseleno)pentyl] ester [5-(4-methylphenyl)sulfonyl-4-phenylselanylpentyl] benzoate [4-phenylselanyl-5-(p-tolylsulfonyl)pentyl] benzoate [5-(4-methylphenyl)sulfonyl-4-phenylselanyl-pentyl] benzoate
Wiley ID 865803