| SpectraBase Compound ID | 65CHimkPngr |
|---|---|
| InChI | InChI=1S/C18H17NO6/c1-2-11-24-17(20)14-5-7-15(8-6-14)18(21)25-12-13-3-9-16(10-4-13)19(22)23/h3-10H,2,11-12H2,1H3 |
| InChIKey | NEIREAQZQWDOSL-UHFFFAOYSA-N |
| Mol Weight | 343.34 g/mol |
| Molecular Formula | C18H17NO6 |
| Exact Mass | 343.105587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWo3pSUKVyb |
|---|---|
| Name | Terephthalic acid, 4-nitrobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.105587265 u |
| Formula | C18H17NO6 |
| InChI | InChI=1S/C18H17NO6/c1-2-11-24-17(20)14-5-7-15(8-6-14)18(21)25-12-13-3-9-16(10-4-13)19(22)23/h3-10H,2,11-12H2,1H3 |
| InChIKey | NEIREAQZQWDOSL-UHFFFAOYSA-N |
| Molecular Weight | 343.335 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCC)=O)C(=O)OCC1=CC=C(C=C1)N(=O)=O |