| SpectraBase Compound ID | 4DJ4FOMakCT |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-4-12(9(2)3)13(15)10-5-7-11(8-6-10)14(16)17/h4-9,12-13,15H,1H2,2-3H3 |
| InChIKey | DHWXGHQYWXAUHY-UHFFFAOYSA-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 | Cphd98pvD87 |
|---|---|
| Name | 2-Isopropyl-1-(4-nitrophenyl)but-3-en-1-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/c1-4-12(9(2)3)13(15)10-5-7-11(8-6-10)14(16)17/h4-9,12-13,15H,1H2,2-3H3 |
| InChIKey | DHWXGHQYWXAUHY-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C(O)(C1=CC=C(N(=O)=O)C=C1)C(C=C)C(C)C |