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

*Links on SpectraBase are not permalinks.

ethyl 2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

View entire compound with spectra: 2 NMR

ethyl 2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
SpectraBase Compound ID H3PjsjsYKWx
InChI InChI=1S/C21H25NO4/c1-5-25-20(24)18-16(13-8-6-12(2)7-9-13)17-14(23)10-21(3,4)11-15(17)26-19(18)22/h6-9,16H,5,10-11,22H2,1-4H3
InChIKey VMTJJPYJWCLDPS-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID BF1GmJT2SZf
Name Ethyl 2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.178358285 u
Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-5-25-20(24)18-16(13-8-6-12(2)7-9-13)17-14(23)10-21(3,4)11-15(17)26-19(18)22/h6-9,16H,5,10-11,22H2,1-4H3
InChIKey VMTJJPYJWCLDPS-UHFFFAOYSA-N
SMILES NC1=C(C(C2=C(CC(CC2=O)(C)C)O1)C=1C=CC(=CC1)C)C(=O)OCC