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tri-p-Tolylphosphine oxide

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

tri-p-Tolylphosphine oxide
SpectraBase Compound ID 9MZlhm75aux
InChI InChI=1S/C21H21OP/c1-16-4-10-19(11-5-16)23(22,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKey SPKBYIYIZQARNX-UHFFFAOYSA-N
Mol Weight 320.37 g/mol
Molecular Formula C21H21OP
Exact Mass 320.133002 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HL2I45PgsCq
Name tri-p-Tolylphosphine oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.133002293 u
Formula C21H21OP
InChI InChI=1S/C21H21OP/c1-16-4-10-19(11-5-16)23(22,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKey SPKBYIYIZQARNX-UHFFFAOYSA-N
Molecular Weight 320.372 g/mol
SMILES C=1C(=CC=C(C1)C)P(=O)(C=1C=CC(=CC1)C)C=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Raman) 0.884605