![Benzoic acid, 4-nitro-, tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl ester](/api/spectrum/UHbunvPzwr/structure.png?h=300&w=458 "Benzoic acid, 4-nitro-, tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl ester")
| SpectraBase Compound ID | LAFH6Lb61Gp |
|---|---|
| InChI | InChI=1S/C18H21NO4/c20-17(15-1-3-16(4-2-15)19(21)22)23-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2 |
| InChIKey | GUHVKAPDQTZCNO-UHFFFAOYSA-N |
| Mol Weight | 315.37 g/mol |
| Molecular Formula | C18H21NO4 |
| Exact Mass | 315.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | UHbunvPzwr |
|---|---|
| Name | Benzoic acid, 4-nitro-, tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.147058156 u |
| Formula | C18H21NO4 |
| InChI | InChI=1S/C18H21NO4/c20-17(15-1-3-16(4-2-15)19(21)22)23-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2 |
| InChIKey | GUHVKAPDQTZCNO-UHFFFAOYSA-N |
| SMILES | C1C2CC3(COC(C4=CC=C(C=C4)N(=O)=O)=O)CC1CC(C3)C2 |