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2-(Dihexylphosphinyl)-1,1-dipenylethanol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

2-(Dihexylphosphinyl)-1,1-dipenylethanol
SpectraBase Compound ID ImFLDTZ4PEK
InChI InChI=1S/C26H39O2P/c1-3-5-7-15-21-29(28,22-16-8-6-4-2)23-26(27,24-17-11-9-12-18-24)25-19-13-10-14-20-25/h9-14,17-20,27H,3-8,15-16,21-23H2,1-2H3
InChIKey JBTUUZVVKWVUOS-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H39O2P
Exact Mass 414.268767 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LJf9dJDrBVO
Name 2-(Dihexylphosphinyl)-1,1-dipenylethanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.268767492 u
Formula C26H39O2P
InChI InChI=1S/C26H39O2P/c1-3-5-7-15-21-29(28,22-16-8-6-4-2)23-26(27,24-17-11-9-12-18-24)25-19-13-10-14-20-25/h9-14,17-20,27H,3-8,15-16,21-23H2,1-2H3
InChIKey JBTUUZVVKWVUOS-UHFFFAOYSA-N
Molecular Weight 414.570 g/mol
SMILES OC(CP(=O)(CCCCCC)CCCCCC)(C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.978227