| SpectraBase Spectrum ID |
7VASdQUlbt5 |
| Name |
4H-1-Benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-5-oxo-4-[4-(trifluoromethyl)phenyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.092912154 u |
| Formula |
C17H13F3N2O2 |
| InChI |
InChI=1S/C17H13F3N2O2/c18-17(19,20)10-6-4-9(5-7-10)14-11(8-21)16(22)24-13-3-1-2-12(23)15(13)14/h4-7,14H,1-3,22H2 |
| InChIKey |
XKYXFKAQXPAKJO-UHFFFAOYSA-N |
| Molecular Weight |
334.298 g/mol |
| SMILES |
NC1=C(C(C2=C(CCCC2=O)O1)C=1C=CC(C(F)(F)F)=CC1)C#N |
![4H-1-benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-5-oxo-4-[4-(trifluoromethyl)phenyl]-](/api/spectrum/7VASdQUlbt5/structure.png?h=300&w=458 "4H-1-benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-5-oxo-4-[4-(trifluoromethyl)phenyl]-")
