| SpectraBase Spectrum ID |
4TBD5m8IstD |
| Name |
Methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.142307128 u |
| Formula |
C20H20N2O4 |
| InChI |
InChI=1S/C20H20N2O4/c1-20(2)8-14(23)17-15(9-20)26-18(22)13(10-21)16(17)11-4-6-12(7-5-11)19(24)25-3/h4-7,16H,8-9,22H2,1-3H3 |
| InChIKey |
UBVCXYTVNQJOJJ-UHFFFAOYSA-N |
| Molecular Weight |
352.390 g/mol |
| SMILES |
NC1=C(C(C2=C(CC(CC2=O)(C)C)O1)C1=CC=C(C(=O)OC)C=C1)C#N |
