SpectraBase Spectrum ID |
ESwT18ygCTe |
Name |
3-[(Diisopropylamino)-(4-pyren-1-ylbutoxy)phosphanyl]oxypropionitrile |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
474.243615371 u |
Formula |
C29H35N2O2P |
InChI |
InChI=1S/C29H35N2O2P/c1-21(2)31(22(3)4)34(33-20-8-18-30)32-19-6-5-9-23-12-13-26-15-14-24-10-7-11-25-16-17-27(23)29(26)28(24)25/h7,10-17,21-22H,5-6,8-9,19-20H2,1-4H3 |
InChIKey |
DYKZQUCEFMNQFB-UHFFFAOYSA-N |
Molecular Weight |
474.585 g/mol |
SMILES |
C(N(P(OCCC#N)OCCCCC1=CC=C2C=CC3=CC=CC=4C=CC1=C2C34)C(C)C)(C)C |