For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4H-1-benzopyran-3-carboxylic acid, 2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-, 2-methoxyethyl ester

View entire compound with spectra: 2 NMR

4H-1-benzopyran-3-carboxylic acid, 2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-, 2-methoxyethyl ester
SpectraBase Compound ID AjVry12Z5Q3
InChI InChI=1S/C21H24FNO5/c1-21(2)10-14(24)17-15(11-21)28-19(23)18(20(25)27-9-8-26-3)16(17)12-4-6-13(22)7-5-12/h4-7,16H,8-11,23H2,1-3H3
InChIKey HCKNNRSHIKITPC-UHFFFAOYSA-N
Mol Weight 389.42 g/mol
Molecular Formula C21H24FNO5
Exact Mass 389.163851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5zrMPmIM6h8
Name 4H-1-Benzopyran-3-carboxylic acid, 2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-, 2-methoxyethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.163851035 u
Formula C21H24FNO5
InChI InChI=1S/C21H24FNO5/c1-21(2)10-14(24)17-15(11-21)28-19(23)18(20(25)27-9-8-26-3)16(17)12-4-6-13(22)7-5-12/h4-7,16H,8-11,23H2,1-3H3
InChIKey HCKNNRSHIKITPC-UHFFFAOYSA-N
Molecular Weight 389.423 g/mol
SMILES NC1=C(C(C2=C(CC(CC2=O)(C)C)O1)C1=CC=C(C=C1)F)C(=O)OCCOC