| SpectraBase Compound ID | 2QQgkYvVSDQ |
|---|---|
| InChI | InChI=1S/C16H8Cl3NO2/c17-10-6-5-9(13(19)8-10)7-14-16(21)22-15(20-14)11-3-1-2-4-12(11)18/h1-8H/b14-7- |
| InChIKey | YTKJIEOKWXJWLM-AUWJEWJLSA-N |
| Mol Weight | 352.6 g/mol |
| Molecular Formula | C16H8Cl3NO2 |
| Exact Mass | 350.962062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9VkamJKiDM6 |
|---|---|
| Name | 2-(2-Chlorophenyl)-4-(2,4-dichlorobenzylidene)-2-oxazolin-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.962061600 u |
| Formula | C16H8Cl3NO2 |
| InChI | InChI=1S/C16H8Cl3NO2/c17-10-6-5-9(13(19)8-10)7-14-16(21)22-15(20-14)11-3-1-2-4-12(11)18/h1-8H/b14-7- |
| InChIKey | YTKJIEOKWXJWLM-AUWJEWJLSA-N |
| Molecular Weight | 352.604 g/mol |
| SMILES | C1(\C(N=C(O1)c1c(cccc1)Cl)=C\c1ccc(cc1Cl)Cl)=O |