| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LXGBfuym1mw |
|---|---|
| Name | 2-ISOPROPYL-1-(4-NITROPHENYL)BUT-3-EN-1-OL |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| 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 | 235.1204 |
| SMILES | OC(C(C=C)C(C)C)c1ccc(cc1)N(=O)=O |
| SPLASH | splash10-0kur-9300000000-cc183bcb83ea5b28c656 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |