![8-Allyl-N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-2-keto-chromene-3-carboxamide](/api/spectrum/9wtV3ZYe8Hx/structure.png?h=300&w=458 "8-Allyl-N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-2-keto-chromene-3-carboxamide")
| SpectraBase Compound ID | 3974B6ABvhp |
|---|---|
| InChI | InChI=1S/C25H21ClF2N2O4/c1-3-5-15-6-4-7-16-12-20(24(32)33-22(15)16)23(31)29-11-10-18-14(2)30-21-9-8-17(13-19(18)21)34-25(26,27)28/h3-4,6-9,12-13,30H,1,5,10-11H2,2H3,(H,29,31) |
| InChIKey | VVPBNIGGIQYLHC-UHFFFAOYSA-N |
| Mol Weight | 486.9 g/mol |
| Molecular Formula | C25H21ClF2N2O4 |
| Exact Mass | 486.115791 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9wtV3ZYe8Hx |
|---|---|
| Name | 8-Allyl-N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-2-keto-chromene-3-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 486.115791186 u |
| Formula | C25H21ClF2N2O4 |
| InChI | InChI=1S/C25H21ClF2N2O4/c1-3-5-15-6-4-7-16-12-20(24(32)33-22(15)16)23(31)29-11-10-18-14(2)30-21-9-8-17(13-19(18)21)34-25(26,27)28/h3-4,6-9,12-13,30H,1,5,10-11H2,2H3,(H,29,31) |
| InChIKey | VVPBNIGGIQYLHC-UHFFFAOYSA-N |
| Molecular Weight | 486.903 g/mol |
| SMILES | C=1(C(OC=2C(CC=C)=CC=CC2C1)=O)C(=O)NCCC1=C(NC2=C1C=C(OC(F)(F)Cl)C=C2)C |