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Triphenyl-{[5'-(methoxycarbonyl)-2'-thienyl]methyl}phosphonium chloride

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Triphenyl-{[5'-(methoxycarbonyl)-2'-thienyl]methyl}phosphonium chloride
SpectraBase Compound ID B5ssVC52w4F
InChI InChI=1S/C25H22ClO2PS/c1-28-25(27)24-18-17-23(30-24)19-29(26,20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,19H2,1H3
InChIKey SFICRBLZKXRVMG-UHFFFAOYSA-N
Mol Weight 452.94 g/mol
Molecular Formula C25H22ClO2PS
Exact Mass 452.076666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cd7jfYjTQd
Name Triphenyl-{[5'-(methoxycarbonyl)-2'-thienyl]methyl}phosphonium chloride
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.076665818 u
Formula C25H22ClO2PS
InChI InChI=1S/C25H22ClO2PS/c1-28-25(27)24-18-17-23(30-24)19-29(26,20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,19H2,1H3
InChIKey SFICRBLZKXRVMG-UHFFFAOYSA-N
Molecular Weight 452.936 g/mol
SMILES C(P(C1=CC=CC=C1)(C=1C=CC=CC1)(C=1C=CC=CC1)Cl)C=1SC(C(=O)OC)=CC1