| SpectraBase Compound ID | CtEy2c5blLw |
|---|---|
| InChI | InChI=1S/C18H11ClO3/c19-14-8-5-12(6-9-14)7-10-16(20)15-11-13-3-1-2-4-17(13)22-18(15)21/h1-11H/b10-7+ |
| InChIKey | AQJMKKGIANSSEB-JXMROGBWSA-N |
| Mol Weight | 310.74 g/mol |
| Molecular Formula | C18H11ClO3 |
| Exact Mass | 310.039672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4H6vrFLzmZr |
|---|---|
| Name | 3-(3-(4-Chlorophenyl)acryloyl)-2H-chromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.039671911 u |
| Formula | C18H11ClO3 |
| InChI | InChI=1S/C18H11ClO3/c19-14-8-5-12(6-9-14)7-10-16(20)15-11-13-3-1-2-4-17(13)22-18(15)21/h1-11H/b10-7+ |
| InChIKey | AQJMKKGIANSSEB-JXMROGBWSA-N |
| Molecular Weight | 310.736 g/mol |
| SMILES | C=1(C(OC2=C(C1)C=CC=C2)=O)C(\C=C\C1=CC=C(C=C1)Cl)=O |