| SpectraBase Compound ID | 493POjWO8Oj |
|---|---|
| InChI | InChI=1S/C18H10F3NO4/c19-18(20,21)17(25)22(15(23)11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)26-16(13)24/h1-10H |
| InChIKey | QZOJQPDVCPLGPC-UHFFFAOYSA-N |
| Mol Weight | 361.28 g/mol |
| Molecular Formula | C18H10F3NO4 |
| Exact Mass | 361.056192 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOCRRlQU00i |
|---|---|
| Name | 3-Benzamidocoumarin, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.056192291 u |
| Formula | C18H10F3NO4 |
| InChI | InChI=1S/C18H10F3NO4/c19-18(20,21)17(25)22(15(23)11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)26-16(13)24/h1-10H |
| InChIKey | QZOJQPDVCPLGPC-UHFFFAOYSA-N |
| Molecular Weight | 361.276 g/mol |
| SMILES | C1(=CC=CC=C1)C(=O)N(C=1C(OC=2C(C1)=CC=CC2)=O)C(C(F)(F)F)=O |