![6-Chloro-2-trichloromethyl-4-[3H]-quinazolinone](/api/spectrum/3ljSLdHMi5z/structure.png?h=300&w=458 "6-Chloro-2-trichloromethyl-4-[3H]-quinazolinone")
| SpectraBase Compound ID | 9PiuD9biF0a |
|---|---|
| InChI | InChI=1S/C9H4Cl4N2O/c10-4-1-2-6-5(3-4)7(16)15-8(14-6)9(11,12)13/h1-3H,(H,14,15,16) |
| InChIKey | ASFXDUJGXVYDJM-UHFFFAOYSA-N |
| Mol Weight | 298.0 g/mol |
| Molecular Formula | C9H4Cl4N2O |
| Exact Mass | 295.907774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3ljSLdHMi5z |
|---|---|
| Name | 6-Chloro-2-trichloromethyl-4-[3H]-quinazolinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.907773556 u |
| Formula | C9H4Cl4N2O |
| InChI | InChI=1S/C9H4Cl4N2O/c10-4-1-2-6-5(3-4)7(16)15-8(14-6)9(11,12)13/h1-3H,(H,14,15,16) |
| InChIKey | ASFXDUJGXVYDJM-UHFFFAOYSA-N |
| Molecular Weight | 297.956 g/mol |
| SMILES | C1(=CC=2C(NC(=NC2C=C1)C(Cl)(Cl)Cl)=O)Cl |