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2-(Phenylseleno)-1-(p-toluenesulfonyl)-3-dodecyne
SpectraBase Compound ID HUANlTJ6vAh
InChI InChI=1S/C25H32O2SSe/c1-3-4-5-6-7-8-9-11-16-25(29-24-14-12-10-13-15-24)21-28(26,27)23-19-17-22(2)18-20-23/h10,12-15,17-20,25H,3-9,21H2,1-2H3
InChIKey LNQZAVVWMQDVRG-UHFFFAOYSA-N
Mol Weight 475.6 g/mol
Molecular Formula C25H32O2SSe
Exact Mass 476.128823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZbfMk4zxBU
Name 2-(Phenylseleno)-1-(p-toluenesulfonyl)-3-dodecyne
CAS Registry Number 127381-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O2SSe
InChI InChI=1S/C25H32O2SSe/c1-3-4-5-6-7-8-9-11-16-25(29-24-14-12-10-13-15-24)21-28(26,27)23-19-17-22(2)18-20-23/h10,12-15,17-20,25H,3-9,21H2,1-2H3
InChIKey LNQZAVVWMQDVRG-UHFFFAOYSA-N
Molecular Weight 475.561 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C#CCCCCCCCC)[Se]c1ccccc1
SPLASH splash10-0a4i-9700000000-6c1dbedb0c27f968c03f
Source of Spectrum J-55-4600-14
Synonyms 1-Methyl-4-{[2-(phenylselanyl)-3-dodecynyl]sulfonyl}benzene 4-Methylphenyl 2-(phenylselanyl)-3-dodecynyl sulfone
Wiley ID 1394273