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4H-1-benzopyran-3-carboxylic acid, 2-amino-4-(2-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-(2-fluorophenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-, 2-methoxyethyl ester
SpectraBase Compound ID Dn8mOxtHPpL
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)12-6-4-5-7-13(12)22/h4-7,16H,8-11,23H2,1-3H3
InChIKey NRUBAABRMWAGDC-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

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SpectraBase Spectrum ID BEI77S026h3
Name 4H-1-Benzopyran-3-carboxylic acid, 2-amino-4-(2-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)12-6-4-5-7-13(12)22/h4-7,16H,8-11,23H2,1-3H3
InChIKey NRUBAABRMWAGDC-UHFFFAOYSA-N
Molecular Weight 389.423 g/mol
SMILES NC1=C(C(C2=C(CC(CC2=O)(C)C)O1)C=1C(F)=CC=CC1)C(=O)OCCOC