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2,6-Difluoro-benzoic acid 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxy-phenyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,6-Difluoro-benzoic acid 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxy-phenyl ester
SpectraBase Compound ID 7P3X2gsJw3x
InChI InChI=1S/C25H20F2N2O5/c1-2-32-20-11-13(9-10-18(20)34-25(31)22-15(26)5-3-6-16(22)27)21-14(12-28)24(29)33-19-8-4-7-17(30)23(19)21/h3,5-6,9-11,21H,2,4,7-8,29H2,1H3
InChIKey FGFOZHAUOZSCBS-UHFFFAOYSA-N
Mol Weight 466.44 g/mol
Molecular Formula C25H20F2N2O5
Exact Mass 466.134028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57WN4GQaHa2
Name 2,6-Difluoro-benzoic acid 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxy-phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20F2N2O5
InChI InChI=1S/C25H20F2N2O5/c1-2-32-20-11-13(9-10-18(20)34-25(31)22-15(26)5-3-6-16(22)27)21-14(12-28)24(29)33-19-8-4-7-17(30)23(19)21/h3,5-6,9-11,21H,2,4,7-8,29H2,1H3
InChIKey FGFOZHAUOZSCBS-UHFFFAOYSA-N
Molecular Weight 466.441 g/mol
SMILES NC1=C(C(C=2C(=O)CCCC2O1)c1cc(OCC)c(OC(c2c(F)cccc2F)=O)cc1)C#N
SPLASH splash10-0006-1911000000-d35e2395583fb423b498
Synonyms 2,6-Difluorobenzoic acid[4-(2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl)-2-ethoxy-phenyl]ester 2,6-Difluorobenzoic acid[4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-2-ethoxyphenyl]ester 4-(2-Amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxyphenyl 2,6-difluorobenzoate [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)-2-ethoxy-phenyl]2,6-difluorobenzoate [4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)-2-ethoxy-phenyl]2,6-bis(fluoranyl)benzoate 2,6-Difluorobenzoic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)-2-ethoxyphenyl] ester [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)-2-ethoxyphenyl] 2,6-difluorobenzoate [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)-2-ethoxy-phenyl] 2,6-difluorobenzoate [4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)-2-ethoxy-phenyl] 2,6-bis(fluoranyl)benzoate
Wiley ID 1436837