| SpectraBase Spectrum ID |
FwQbFYUnURg |
| Name |
Phthalic acid, hexyl 3-methoxy-4-nitrobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.163102142 u |
| Formula |
C22H25NO7 |
| InChI |
InChI=1S/C22H25NO7/c1-3-4-5-8-13-29-21(24)17-9-6-7-10-18(17)22(25)30-15-16-11-12-19(23(26)27)20(14-16)28-2/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3 |
| InChIKey |
FLZYRSJAXLMYOF-UHFFFAOYSA-N |
| Molecular Weight |
415.442 g/mol |
| SMILES |
C(C1=CC=CC=C1C(=O)OCC1=CC(=C(C=C1)N(=O)=O)OC)(OCCCCCC)=O |
