SpectraBase Spectrum ID |
2ka2526ltNZ |
Name |
Succinic acid, decyl 2-(3-nitrophenyl)ethyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
407.230787781 u |
Formula |
C22H33NO6 |
InChI |
InChI=1S/C22H33NO6/c1-2-3-4-5-6-7-8-9-16-28-21(24)13-14-22(25)29-17-15-19-11-10-12-20(18-19)23(26)27/h10-12,18H,2-9,13-17H2,1H3 |
InChIKey |
BNPPVKVCKIYJDJ-UHFFFAOYSA-N |
Molecular Weight |
407.507 g/mol |
SMILES |
C(CCC(OCCC1=CC=CC(=C1)N(=O)=O)=O)(OCCCCCCCCCC)=O |