| SpectraBase Compound ID | e3JOzVUQA2 |
|---|---|
| InChI | InChI=1S/C13H15N3O3/c1-14-8-2-3-12-9-13(15-19-12)10-4-6-11(7-5-10)16(17)18/h4-7,9,14H,2-3,8H2,1H3 |
| InChIKey | LKYBULHYSQKLJS-UHFFFAOYSA-N |
| Mol Weight | 261.28 g/mol |
| Molecular Formula | C13H15N3O3 |
| Exact Mass | 261.111341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ew07i2njV7G |
|---|---|
| Name | 5-Isoxazolepropanamine, N-methyl-3-(4-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.111341352 u |
| Formula | C13H15N3O3 |
| InChI | InChI=1S/C13H15N3O3/c1-14-8-2-3-12-9-13(15-19-12)10-4-6-11(7-5-10)16(17)18/h4-7,9,14H,2-3,8H2,1H3 |
| InChIKey | LKYBULHYSQKLJS-UHFFFAOYSA-N |
| Molecular Weight | 261.281 g/mol |
| SMILES | C(CCNC)C=1ON=C(C2=CC=C(C=C2)N(=O)=O)C1 |