| SpectraBase Compound ID | KpCSwtajqWd |
|---|---|
| InChI | InChI=1S/C18H17NO6/c1-18(2,3)17(21)25-15-6-4-5-14(11-15)24-16(20)12-7-9-13(10-8-12)19(22)23/h4-11H,1-3H3 |
| InChIKey | GOOHSPXDRCNJDM-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 | ABrup90Plys |
|---|---|
| Name | 1,3-Benzenediol, o-(4-nitrobenzoyl)-o'-(pivaloyl)- |
| 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/c1-18(2,3)17(21)25-15-6-4-5-14(11-15)24-16(20)12-7-9-13(10-8-12)19(22)23/h4-11H,1-3H3 |
| InChIKey | GOOHSPXDRCNJDM-UHFFFAOYSA-N |
| Molecular Weight | 343.335 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(C(C)(C)C)=O)OC(C1=CC=C(C=C1)N(=O)=O)=O |