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3-Methylphenyl-N-(p-methylphenyl)sulfonyl]-N-(triphenylphosphoranylidene) imidocarbamate
SpectraBase Compound ID CGJ3tcOzSQ5
InChI InChI=1S/C33H29N2O3PS/c1-26-21-23-32(24-22-26)40(36,37)35-33(38-28-14-12-13-27(2)25-28)34-39(29-15-6-3-7-16-29,30-17-8-4-9-18-30)31-19-10-5-11-20-31/h3-25H,1-2H3/b35-33+
InChIKey PNDGGDSIHZBLHJ-LAPDZXRHSA-N
Mol Weight 564.6 g/mol
Molecular Formula C33H29N2O3PS
Exact Mass 564.163651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xON9rHdp4P
Name 3-Methylphenyl-N-(p-methylphenyl)sulfonyl]-N-(triphenylphosphoranylidene) imidocarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H29N2O3PS
InChI InChI=1S/C33H29N2O3PS/c1-26-21-23-32(24-22-26)40(36,37)35-33(38-28-14-12-13-27(2)25-28)34-39(29-15-6-3-7-16-29,30-17-8-4-9-18-30)31-19-10-5-11-20-31/h3-25H,1-2H3/b35-33+
InChIKey PNDGGDSIHZBLHJ-LAPDZXRHSA-N
Molecular Weight 564.640 g/mol
SMILES c1(P(=N\C(=N/S(c2ccc(cc2)C)(=O)=O)Oc2cc(C)ccc2)(c2ccccc2)c2ccccc2)ccccc1
SPLASH splash10-0a4i-2415900000-950678c5af01f944b475
Source of Spectrum MZ-34-132-6
Wiley ID 1582088