| SpectraBase Spectrum ID |
EGisvzdDgmx |
| Name |
Isophthalic acid, isohexyl 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/c1-14(2)5-4-12-26-19(22)15-6-3-7-16(13-15)20(23)27-18-10-8-17(9-11-18)21(24)25/h3,6-11,13-14H,4-5,12H2,1-2H3 |
| InChIKey |
DKGJQQLSRPZOOO-UHFFFAOYSA-N |
| Molecular Weight |
371.389 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C1=CC(=CC=C1)C(OCCCC(C)C)=O)=O)N(=O)=O |
