| SpectraBase Compound ID | GcoU8bHCf2e |
|---|---|
| InChI | InChI=1S/C17H16N2O6/c1-11(2)13-5-3-12(4-6-13)10-25-17(20)14-7-15(18(21)22)9-16(8-14)19(23)24/h3-9,11H,10H2,1-2H3 |
| InChIKey | ZYZMORLKVZPEMC-UHFFFAOYSA-N |
| Mol Weight | 344.32 g/mol |
| Molecular Formula | C17H16N2O6 |
| Exact Mass | 344.100836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4KwYB6xDjJy |
|---|---|
| Name | 4-Isopropylbenzyl 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.100836237 u |
| Formula | C17H16N2O6 |
| InChI | InChI=1S/C17H16N2O6/c1-11(2)13-5-3-12(4-6-13)10-25-17(20)14-7-15(18(21)22)9-16(8-14)19(23)24/h3-9,11H,10H2,1-2H3 |
| InChIKey | ZYZMORLKVZPEMC-UHFFFAOYSA-N |
| Molecular Weight | 344.323 g/mol |
| SMILES | C1(=CC=C(C=C1)C(C)C)COC(C1=CC(=CC(=C1)N(=O)=O)N(=O)=O)=O |