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1-(diphenylphosphorylmethyl)-2,4-dimethyl-3-(phenylsulfonyl)pyrrole
SpectraBase Compound ID Ebz4KYwK86r
InChI InChI=1S/C25H24NO3PS/c1-20-18-26(21(2)25(20)31(28,29)24-16-10-5-11-17-24)19-30(27,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-18H,19H2,1-2H3
InChIKey PCXUCCXELBIVAM-UHFFFAOYSA-N
Mol Weight 449.5 g/mol
Molecular Formula C25H24NO3PS
Exact Mass 449.121452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Liu28D5t8s
Name 1-(diphenylphosphorylmethyl)-2,4-dimethyl-3-(phenylsulfonyl)pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24NO3PS
InChI InChI=1S/C25H24NO3PS/c1-20-18-26(21(2)25(20)31(28,29)24-16-10-5-11-17-24)19-30(27,22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-18H,19H2,1-2H3
InChIKey PCXUCCXELBIVAM-UHFFFAOYSA-N
Molecular Weight 449.505 g/mol
SMILES c1([n](cc(c1S(=O)(=O)c1ccccc1)C)CP(=O)(c1ccccc1)c1ccccc1)C
SPLASH splash10-0ufr-0679400000-67ebf617294c5d938833
Source of Spectrum K1-2004-2425-25
Synonyms 3-(benzenesulfonyl)-1-(diphenylphosphorylmethyl)-2,4-dimethyl-pyrrole 3-besyl-1-(diphenylphosphorylmethyl)-2,4-dimethyl-pyrrole
Wiley ID 1561006