| SpectraBase Spectrum ID |
7H9rhnuCjo5 |
| Name |
Isophthalic acid, hexyl 4-nitrophenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.136887394 u |
| Formula |
C20H21NO6 |
| InChI |
InChI=1S/C20H21NO6/c1-2-3-4-5-13-26-19(22)15-7-6-8-16(14-15)20(23)27-18-11-9-17(10-12-18)21(24)25/h6-12,14H,2-5,13H2,1H3 |
| InChIKey |
GJTXPZBOURVWDP-UHFFFAOYSA-N |
| Molecular Weight |
371.389 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C1=CC(=CC=C1)C(OCCCCCC)=O)=O)N(=O)=O |
