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

*Links on SpectraBase are not permalinks.
3-(2-Chlorophenyl)-3-[[oxo-(2-oxo-8-prop-2-enyl-1-benzopyran-3-yl)methyl]amino]propanoic acid ethyl ester
SpectraBase Compound ID 10pYT533twQ
InChI InChI=1S/C24H22ClNO5/c1-3-8-15-9-7-10-16-13-18(24(29)31-22(15)16)23(28)26-20(14-21(27)30-4-2)17-11-5-6-12-19(17)25/h3,5-7,9-13,20H,1,4,8,14H2,2H3,(H,26,28)
InChIKey DWKCGKPRFZAICD-UHFFFAOYSA-N
Mol Weight 439.9 g/mol
Molecular Formula C24H22ClNO5
Exact Mass 439.118651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID D2PGfAF5sw0
Name 3-(2-Chlorophenyl)-3-[[oxo-(2-oxo-8-prop-2-enyl-1-benzopyran-3-yl)methyl]amino]propanoic acid ethyl ester
Alternate Name(s) 3-[(8-allyl-2-keto-chromene-3-carbonyl)amino]-3-(2-chlorophenyl)propionic acid ethyl ester Ethyl 3-(2-chlorophenyl)-3-[(2-oxidanylidene-8-prop-2-enyl-chromen-3-yl)carbonylamino]propanoate Ethyl 3-(2-chlorophenyl)-3-[(2-oxo-8-prop-2-enylchromene-3-carbonyl)amino]propanoate Ethyl 3-[(8-allyl-2-oxo-chromene-3-carbonyl)amino]-3-(2-chlorophenyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22ClNO5
InChI InChI=1S/C24H22ClNO5/c1-3-8-15-9-7-10-16-13-18(24(29)31-22(15)16)23(28)26-20(14-21(27)30-4-2)17-11-5-6-12-19(17)25/h3,5-7,9-13,20H,1,4,8,14H2,2H3,(H,26,28)
InChIKey DWKCGKPRFZAICD-UHFFFAOYSA-N
Molecular Weight 439.895 g/mol
SMILES N(C(CC(=O)OCC)c1c(Cl)cccc1)C(C=1C(Oc2c(C1)cccc2CC=C)=O)=O
SPLASH splash10-0ik9-3951300000-7e962bdc53e4f21ed1b4
Wiley ID 1445193