| SpectraBase Compound ID | 4jH0hW9ZdQZ |
|---|---|
| InChI | InChI=1S/C12H12N2O4/c1-18-12(15)5-2-8-7-13-11-6-9(14(16)17)3-4-10(8)11/h3-4,6-7,13H,2,5H2,1H3 |
| InChIKey | HAYZKCNXBKZWLK-UHFFFAOYSA-N |
| Mol Weight | 248.24 g/mol |
| Molecular Formula | C12H12N2O4 |
| Exact Mass | 248.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nCTgPT7kZS |
|---|---|
| Name | Methyl 6-nitroindole-3-propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.079706870 u |
| Formula | C12H12N2O4 |
| InChI | InChI=1S/C12H12N2O4/c1-18-12(15)5-2-8-7-13-11-6-9(14(16)17)3-4-10(8)11/h3-4,6-7,13H,2,5H2,1H3 |
| InChIKey | HAYZKCNXBKZWLK-UHFFFAOYSA-N |
| Molecular Weight | 248.238 g/mol |
| SMILES | C12=C(C=CC(=C2)N(=O)=O)C(CCC(OC)=O)=CN1 |