![1H-Pyrazole-1-acetamide, N-[2-(4-chlorophenyl)ethyl]-4-iodo-](/api/spectrum/IbTbfvSy2UT/structure.png?h=300&w=458 "1H-Pyrazole-1-acetamide, N-[2-(4-chlorophenyl)ethyl]-4-iodo-")
| SpectraBase Compound ID | 6MUWpkQFa35 |
|---|---|
| InChI | InChI=1S/C13H13ClIN3O/c14-11-3-1-10(2-4-11)5-6-16-13(19)9-18-8-12(15)7-17-18/h1-4,7-8H,5-6,9H2,(H,16,19) |
| InChIKey | XKWCQQXWQNVLPM-UHFFFAOYSA-N |
| Mol Weight | 389.62 g/mol |
| Molecular Formula | C13H13ClIN3O |
| Exact Mass | 388.979185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbTbfvSy2UT |
|---|---|
| Name | 1H-Pyrazole-1-acetamide, N-[2-(4-chlorophenyl)ethyl]-4-iodo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.979184750 u |
| Formula | C13H13ClIN3O |
| InChI | InChI=1S/C13H13ClIN3O/c14-11-3-1-10(2-4-11)5-6-16-13(19)9-18-8-12(15)7-17-18/h1-4,7-8H,5-6,9H2,(H,16,19) |
| InChIKey | XKWCQQXWQNVLPM-UHFFFAOYSA-N |
| Molecular Weight | 389.624 g/mol |
| SMILES | C(N1C=C(C=N1)I)C(NCCC1=CC=C(C=C1)Cl)=O |