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4-(Phenylcarboxy)-2-(phenylseleno)-1-(p-tolylsulfonyl)-1-butene
SpectraBase Compound ID 6LV5Nv5zUo5
InChI InChI=1S/C24H22O4SSe/c1-19-12-14-21(15-13-19)29(26,27)18-23(30-22-10-6-3-7-11-22)16-17-24(25)28-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3/b23-18+
InChIKey IXIXZOJTBVPLMY-PTGBLXJZSA-N
Mol Weight 485.47 g/mol
Molecular Formula C24H22O4SSe
Exact Mass 486.040402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRLMQUFuE0u
Name 4-(Phenylcarboxy)-2-(phenylseleno)-1-(p-tolylsulfonyl)-1-butene
CAS Registry Number 112389-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O4SSe
InChI InChI=1S/C24H22O4SSe/c1-19-12-14-21(15-13-19)29(26,27)18-23(30-22-10-6-3-7-11-22)16-17-24(25)28-20-8-4-2-5-9-20/h2-15,18H,16-17H2,1H3/b23-18+
InChIKey IXIXZOJTBVPLMY-PTGBLXJZSA-N
Molecular Weight 485.468 g/mol
SMILES c1([Se]\C(=C\S(c2ccc(cc2)C)(=O)=O)CCC(Oc2ccccc2)=O)ccccc1
SPLASH splash10-0a4l-6901000000-c43b9288b57f843d19a2
Source of Spectrum J-54-4150-2
Synonyms phenyl (4E)-5-[(4-methylphenyl)sulfonyl]-4-(phenylselanyl)-4-pentenoate
Wiley ID 1396412