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

*Links on SpectraBase are not permalinks.
3-(2-ketochromen-4-yl)-5-phenyl-isoxazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID ETk6hbv0o68
InChI InChI=1S/C21H15NO5/c1-2-25-21(24)18-19(22-27-20(18)13-8-4-3-5-9-13)15-12-17(23)26-16-11-7-6-10-14(15)16/h3-12H,2H2,1H3
InChIKey MTBJYDCDFPTDGC-UHFFFAOYSA-N
Mol Weight 361.35 g/mol
Molecular Formula C21H15NO5
Exact Mass 361.095023 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 1EsdEqJWBk
Name 3-(2-ketochromen-4-yl)-5-phenyl-isoxazole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15NO5
InChI InChI=1S/C21H15NO5/c1-2-25-21(24)18-19(22-27-20(18)13-8-4-3-5-9-13)15-12-17(23)26-16-11-7-6-10-14(15)16/h3-12H,2H2,1H3
InChIKey MTBJYDCDFPTDGC-UHFFFAOYSA-N
Molecular Weight 361.353 g/mol
SMILES c1(c(c(-c2ccccc2)on1)C(=O)OCC)C=1c2c(cccc2)OC(C1)=O
SPLASH splash10-03fr-5309000000-68aeb4623ea2ddd00cac
Source of Spectrum Y-35-623-12
Synonyms 3-(2-oxo-1-benzopyran-4-yl)-5-phenyl-4-isoxazolecarboxylic acid ethyl ester Ethyl 3-(2-oxidanylidenechromen-4-yl)-5-phenyl-1,2-oxazole-4-carboxylate Ethyl 3-(2-oxochromen-4-yl)-5-phenyl-1,2-oxazole-4-carboxylate Ethyl 3-(2-oxochromen-4-yl)-5-phenyl-isoxazole-4-carboxylate
Wiley ID 1349031