| SpectraBase Compound ID | F2nA3Gh5Gpm |
|---|---|
| InChI | InChI=1S/C12H14N2O2/c15-14(16)9-4-3-8-13-10-7-11-5-1-2-6-12(11)13/h1-2,5-7,10H,3-4,8-9H2 |
| InChIKey | TYANSGWGHIKALD-UHFFFAOYSA-N |
| Mol Weight | 218.26 g/mol |
| Molecular Formula | C12H14N2O2 |
| Exact Mass | 218.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JubJgCQ9tjY |
|---|---|
| Name | 1H-Indole, 1-(4-nitrobutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.105527697 u |
| Formula | C12H14N2O2 |
| InChI | InChI=1S/C12H14N2O2/c15-14(16)9-4-3-8-13-10-7-11-5-1-2-6-12(11)13/h1-2,5-7,10H,3-4,8-9H2 |
| InChIKey | TYANSGWGHIKALD-UHFFFAOYSA-N |
| Molecular Weight | 218.256 g/mol |
| SMILES | C1=CC=CC2=C1N(CCCCN(=O)=O)C=C2 |