| SpectraBase Compound ID | HKIRUz4bleM |
|---|---|
| InChI | InChI=1S/C18H19NO4/c1-18(2,3)17(20)23-16-10-9-14(12-15(16)19(21)22)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3 |
| InChIKey | RQCLNCXLICNWPP-UHFFFAOYSA-N |
| Mol Weight | 313.35 g/mol |
| Molecular Formula | C18H19NO4 |
| Exact Mass | 313.131408 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 | BgS5UFLJeUi |
|---|---|
| Name | 4-Benzyl-2-nitrophenol, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.131408092 u |
| Formula | C18H19NO4 |
| InChI | InChI=1S/C18H19NO4/c1-18(2,3)17(20)23-16-10-9-14(12-15(16)19(21)22)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3 |
| InChIKey | RQCLNCXLICNWPP-UHFFFAOYSA-N |
| Molecular Weight | 313.353 g/mol |
| SMILES | C1(N(=O)=O)=C(C=CC(=C1)CC1=CC=CC=C1)OC(C(C)(C)C)=O |