| SpectraBase Compound ID | Kq6quARuo99 |
|---|---|
| InChI | InChI=1S/C14H16N2O8/c1-2-23-13(17)4-3-5-14(18)24-9-10-6-11(15(19)20)8-12(7-10)16(21)22/h6-8H,2-5,9H2,1H3 |
| InChIKey | KNSZIBLOECSYTK-UHFFFAOYSA-N |
| Mol Weight | 340.29 g/mol |
| Molecular Formula | C14H16N2O8 |
| Exact Mass | 340.090665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HKs2yoEENQo |
|---|---|
| Name | Glutaric acid, 3,5-dinitrobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.090665475 u |
| Formula | C14H16N2O8 |
| InChI | InChI=1S/C14H16N2O8/c1-2-23-13(17)4-3-5-14(18)24-9-10-6-11(15(19)20)8-12(7-10)16(21)22/h6-8H,2-5,9H2,1H3 |
| InChIKey | KNSZIBLOECSYTK-UHFFFAOYSA-N |
| Molecular Weight | 340.288 g/mol |
| SMILES | C(OCC1=CC(=CC(=C1)N(=O)=O)N(=O)=O)(=O)CCCC(OCC)=O |