| SpectraBase Compound ID | Lcud96RJIqu |
|---|---|
| InChI | InChI=1S/C17H14N2O8/c20-16(12-2-6-14(7-3-12)18(22)23)26-10-1-11-27-17(21)13-4-8-15(9-5-13)19(24)25/h2-9H,1,10-11H2 |
| InChIKey | DGEHMXCYTLBOBT-UHFFFAOYSA-N |
| Mol Weight | 374.31 g/mol |
| Molecular Formula | C17H14N2O8 |
| Exact Mass | 374.075015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3CHEQxS8mbM |
|---|---|
| Name | 1,3-Propanediol, bis(4-nitrobenzoate) |
| 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/c20-16(12-2-6-14(7-3-12)18(22)23)26-10-1-11-27-17(21)13-4-8-15(9-5-13)19(24)25/h2-9H,1,10-11H2 |
| InChIKey | DGEHMXCYTLBOBT-UHFFFAOYSA-N |
| Molecular Weight | 374.305 g/mol |
| SMILES | C(=O)(C=1C=CC(=CC1)N(=O)=O)OCCCOC(=O)C1=CC=C(N(=O)=O)C=C1 |