| SpectraBase Compound ID | HNSGxXHpe4X |
|---|---|
| InChI | InChI=1S/C14H12N4O2/c1-8(19)11-7-18(12-5-3-2-4-9(11)12)14(20)10-6-16-17-13(10)15/h2-7H,1H3,(H3,15,16,17) |
| InChIKey | SYUIEGIWNXBSAQ-UHFFFAOYSA-N |
| Mol Weight | 268.28 g/mol |
| Molecular Formula | C14H12N4O2 |
| Exact Mass | 268.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JbcR4dKfMD8 |
|---|---|
| Name | 1-(1-(5-Amino-1H-pyrazole-4-carbonyl)-1H-indol-3-yl)ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.096025640 u |
| Formula | C14H12N4O2 |
| InChI | InChI=1S/C14H12N4O2/c1-8(19)11-7-18(12-5-3-2-4-9(11)12)14(20)10-6-16-17-13(10)15/h2-7H,1H3,(H3,15,16,17) |
| InChIKey | SYUIEGIWNXBSAQ-UHFFFAOYSA-N |
| SMILES | C(N1C=C(C(=O)C)C2=C1C=CC=C2)(C1=C(NN=C1)N)=O |