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4-(Phenylseleno)-1-(p-toluenesulfonyl)-2,3-dodecadiene
SpectraBase Compound ID 7d4bMfQi07o
InChI InChI=1S/C25H32O2SSe/c1-3-4-5-6-7-9-13-25(29-24-14-10-8-11-15-24)16-12-21-28(26,27)23-19-17-22(2)18-20-23/h8,10-12,14-15,17-20H,3-7,9,13,21H2,1-2H3
InChIKey HFZOEVXVHLIXBE-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 LNGctjz9jUB
Name 4-(Phenylseleno)-1-(p-toluenesulfonyl)-2,3-dodecadiene
CAS Registry Number 127381-38-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O2SSe
InChI InChI=1S/C25H32O2SSe/c1-3-4-5-6-7-9-13-25(29-24-14-10-8-11-15-24)16-12-21-28(26,27)23-19-17-22(2)18-20-23/h8,10-12,14-15,17-20H,3-7,9,13,21H2,1-2H3
InChIKey HFZOEVXVHLIXBE-UHFFFAOYSA-N
Molecular Weight 475.561 g/mol
SMILES c1(S(=O)(=O)CC=C=C([Se]c2ccccc2)CCCCCCCC)ccc(cc1)C
SPLASH splash10-052f-8910000000-287af02d436c462a37b4
Source of Spectrum J-55-4600-15
Synonyms 1-Methyl-4-{[4-(phenylselanyl)-2,3-dodecadienyl]sulfonyl}benzene 4-Methylphenyl 4-(phenylselanyl)-2,3-dodecadienyl sulfone
Wiley ID 1394274