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2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenoxy]acetamide

View entire compound with spectra: 2 NMR

2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenoxy]acetamide
SpectraBase Compound ID KKYfkGnWjBi
InChI InChI=1S/C21H23N3O5/c1-21(2)7-13(25)19-16(8-21)29-20(24)12(9-22)18(19)11-4-5-14(15(6-11)27-3)28-10-17(23)26/h4-6,18H,7-8,10,24H2,1-3H3,(H2,23,26)
InChIKey YICWNUFDWDPBSU-UHFFFAOYSA-N
Mol Weight 397.43 g/mol
Molecular Formula C21H23N3O5
Exact Mass 397.163771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQAM8VoH4iW
Name 2-[4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenoxy]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.163770848 u
Formula C21H23N3O5
InChI InChI=1S/C21H23N3O5/c1-21(2)7-13(25)19-16(8-21)29-20(24)12(9-22)18(19)11-4-5-14(15(6-11)27-3)28-10-17(23)26/h4-6,18H,7-8,10,24H2,1-3H3,(H2,23,26)
InChIKey YICWNUFDWDPBSU-UHFFFAOYSA-N
Molecular Weight 397.431 g/mol
SMILES NC=1OC=2CC(CC(C2C(C2=CC=C(OCC(=O)N)C(=C2)OC)C1C#N)=O)(C)C