SpectraBase Spectrum ID |
Eyy8w0C85bO |
Name |
1-(Diphenylphosphinyl)-1-butanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
274.112266848 u |
Formula |
C16H19O2P |
InChI |
InChI=1S/C16H19O2P/c1-2-9-16(17)19(18,14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-8,10-13,16-17H,2,9H2,1H3 |
InChIKey |
PHWPZWDHZAODJG-UHFFFAOYSA-N |
Molecular Weight |
274.300 g/mol |
SMILES |
OC(P(C=1C=CC=CC1)(=O)C=1C=CC=CC1)CCC |
Spectrum/Structure Validation Score (Raman) |
0.871653 |