SpectraBase Spectrum ID |
3gY7qVANHP2 |
Name |
Butylphosphonic acid, heptyl 4-(2-phenylprop-2-yl)phenyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
430.263682111 u |
Formula |
C26H39O3P |
InChI |
InChI=1S/C26H39O3P/c1-5-7-9-10-14-21-28-30(27,22-8-6-2)29-25-19-17-24(18-20-25)26(3,4)23-15-12-11-13-16-23/h11-13,15-20H,5-10,14,21-22H2,1-4H3 |
InChIKey |
DKZNAUVTRBDFQF-UHFFFAOYSA-N |
Molecular Weight |
430.569 g/mol |
SMILES |
C(CCOP(CCCC)(=O)OC1=CC=C(C(C2=CC=CC=C2)(C)C)C=C1)CCCC |