| SpectraBase Spectrum ID |
82OZTc2kFuV |
| Name |
Phthalic acid, 3,5-dinitrobenzyl isobutyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.106315540 u |
| Formula |
C19H18N2O8 |
| InChI |
InChI=1S/C19H18N2O8/c1-12(2)10-28-18(22)16-5-3-4-6-17(16)19(23)29-11-13-7-14(20(24)25)9-15(8-13)21(26)27/h3-9,12H,10-11H2,1-2H3 |
| InChIKey |
GYWIFUCGEHNWSU-UHFFFAOYSA-N |
| Molecular Weight |
402.359 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(=O)OCC=1C=C(C=C(N(=O)=O)C1)N(=O)=O)C(=O)OCC(C)C |
