![1-[(E)-benzalamino]-5-keto-3-methyl-imidazo[1,2-a]pyrimidine-6-carbonitrile](/api/spectrum/4Se5K31dqpz/structure.png?h=300&w=458 "1-[(E)-benzalamino]-5-keto-3-methyl-imidazo[1,2-a]pyrimidine-6-carbonitrile")
| SpectraBase Compound ID | 1qY49SAePeN |
|---|---|
| InChI | InChI=1S/C15H11N5O/c1-11-10-19(18-8-12-5-3-2-4-6-12)15-17-9-13(7-16)14(21)20(11)15/h2-6,8-10H,1H3/b18-8+ |
| InChIKey | LOXPKHCRRTYDPH-QGMBQPNBSA-N |
| Mol Weight | 277.29 g/mol |
| Molecular Formula | C15H11N5O |
| Exact Mass | 277.09636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Se5K31dqpz |
|---|---|
| Name | 1-[(E)-Benzalamino]-5-keto-3-methyl-imidazo[1,2-A]pyrimidine-6-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.096359993 u |
| Formula | C15H11N5O |
| InChI | InChI=1S/C15H11N5O/c1-11-10-19(18-8-12-5-3-2-4-6-12)15-17-9-13(7-16)14(21)20(11)15/h2-6,8-10H,1H3/b18-8+ |
| InChIKey | LOXPKHCRRTYDPH-QGMBQPNBSA-N |
| SMILES | C12=NC=C(C(N2C(=CN1\N=C\C=1C=CC=CC1)C)=O)C#N |