| SpectraBase Spectrum ID |
7THUQyN9cZc |
| Name |
Phthalic acid, 3,5-dinitrobenzyl ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.075015411 u |
| Formula |
C17H14N2O8 |
| InChI |
InChI=1S/C17H14N2O8/c1-2-26-16(20)14-5-3-4-6-15(14)17(21)27-10-11-7-12(18(22)23)9-13(8-11)19(24)25/h3-9H,2,10H2,1H3 |
| InChIKey |
LAWYSRIEXXFDRN-UHFFFAOYSA-N |
| Molecular Weight |
374.305 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 |
