![1-(3-Methyl butoxy)-4-[2-nitroethenyl]benzene](/api/spectrum/6NyxIi3JTWy/structure.png?h=300&w=458 "1-(3-Methyl butoxy)-4-[2-nitroethenyl]benzene")
| SpectraBase Compound ID | 9gk2qGgm7TF |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-11(2)8-10-17-13-5-3-12(4-6-13)7-9-14(15)16/h3-7,9,11H,8,10H2,1-2H3/b9-7+ |
| InChIKey | GOPLDGTYUXGBCU-VQHVLOKHSA-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 | 6NyxIi3JTWy |
|---|---|
| Name | 1-(3-Methyl butoxy)-4-[2-nitroethenyl]benzene |
| 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/c1-11(2)8-10-17-13-5-3-12(4-6-13)7-9-14(15)16/h3-7,9,11H,8,10H2,1-2H3/b9-7+ |
| InChIKey | GOPLDGTYUXGBCU-VQHVLOKHSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C(CC(C)C)OC1=CC=C(\C=C\N(=O)=O)C=C1 |