| SpectraBase Compound ID | IxNvUuH00nb |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-13(2,3)12(15)9-6-10-4-7-11(8-5-10)14(16)17/h4-9,12,15H,1-3H3/b9-6+ |
| InChIKey | UBYPYFBYVCHAAM-RMKNXTFCSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gsv7hQOVt1I |
|---|---|
| Name | (E)-4,4-Dimethyl-1-(4-nitrophenyl)-1-penten-3-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-13(2,3)12(15)9-6-10-4-7-11(8-5-10)14(16)17/h4-9,12,15H,1-3H3/b9-6+ |
| InChIKey | UBYPYFBYVCHAAM-RMKNXTFCSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(\C=C\C(C(C)(C)C)O)C=C1 |