| SpectraBase Compound ID | B571TNc4j4O |
|---|---|
| InChI | InChI=1S/C10H7N3O/c1-13-9(6-11)12-8-5-3-2-4-7(8)10(13)14/h2-5H,1H3 |
| InChIKey | KHPYVOTXQCRANC-UHFFFAOYSA-N |
| Mol Weight | 185.19 g/mol |
| Molecular Formula | C10H7N3O |
| Exact Mass | 185.058912 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | eErjHS18EO |
|---|---|
| Name | 3-Methyl-4-oxidanylidene-quinazoline-2-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.058911856 u |
| Formula | C10H7N3O |
| InChI | InChI=1S/C10H7N3O/c1-13-9(6-11)12-8-5-3-2-4-7(8)10(13)14/h2-5H,1H3 |
| InChIKey | KHPYVOTXQCRANC-UHFFFAOYSA-N |
| Molecular Weight | 185.186 g/mol |
| SMILES | C1(N(C(=NC=2C=CC=CC12)C#N)C)=O |