![1-[(Z)-2-nitroprop-1-enyl]-3-propoxy-benzene](/api/spectrum/ElKcIvVQiaD/structure.png?h=300&w=458 "1-[(Z)-2-nitroprop-1-enyl]-3-propoxy-benzene")
| SpectraBase Compound ID | 1TEWHjdTz0M |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-3-7-16-12-6-4-5-11(9-12)8-10(2)13(14)15/h4-6,8-9H,3,7H2,1-2H3/b10-8- |
| InChIKey | YXNKPDKLYKTOIW-NTMALXAHSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C12H15NO3 |
| Exact Mass | 221.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElKcIvVQiaD |
|---|---|
| Name | 1-[(Z)-2-Nitroprop-1-enyl]-3-propoxy-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.105193344 u |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c1-3-7-16-12-6-4-5-11(9-12)8-10(2)13(14)15/h4-6,8-9H,3,7H2,1-2H3/b10-8- |
| InChIKey | YXNKPDKLYKTOIW-NTMALXAHSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | C=1(\C=C\(N(=O)=O)C)C=C(OCCC)C=CC1 |