| SpectraBase Spectrum ID |
FN2HUC7s5RC |
| Name |
Isophthalic acid, 4-nitrophenyl octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.168187523 u |
| Formula |
C22H25NO6 |
| InChI |
InChI=1S/C22H25NO6/c1-2-3-4-5-6-7-15-28-21(24)17-9-8-10-18(16-17)22(25)29-20-13-11-19(12-14-20)23(26)27/h8-14,16H,2-7,15H2,1H3 |
| InChIKey |
JSMXPMXECVKZRF-UHFFFAOYSA-N |
| Molecular Weight |
399.443 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C1=CC(=CC=C1)C(OCCCCCCCC)=O)=O)N(=O)=O |
