| SpectraBase Compound ID | KUKNwukU0pc |
|---|---|
| InChI | InChI=1S/C16H21NO4/c1-3-4-5-6-7-13(2)21-16(18)12-14-8-10-15(11-9-14)17(19)20/h6-11,13H,3-5,12H2,1-2H3/b7-6+ |
| InChIKey | QLVJLOPSGSCVAP-VOTSOKGWSA-N |
| Mol Weight | 291.35 g/mol |
| Molecular Formula | C16H21NO4 |
| Exact Mass | 291.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YNrue9zMth |
|---|---|
| Name | Benzeneacetic acid, 4-nitro-, oct-3-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.147058156 u |
| Formula | C16H21NO4 |
| InChI | InChI=1S/C16H21NO4/c1-3-4-5-6-7-13(2)21-16(18)12-14-8-10-15(11-9-14)17(19)20/h6-11,13H,3-5,12H2,1-2H3/b7-6+ |
| InChIKey | QLVJLOPSGSCVAP-VOTSOKGWSA-N |
| SMILES | C(OC(C)\C=C\CCCC)(CC=1C=CC(=CC1)N(=O)=O)=O |