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

*Links on SpectraBase are not permalinks.
6-Allyl-1-(4-fluorophenylamino)-3-(ethoxycarbonyl)-5,8-isoquinolinequinone
SpectraBase Compound ID JOgCxaGWvrK
InChI InChI=1S/C21H17FN2O4/c1-3-5-12-10-17(25)18-15(19(12)26)11-16(21(27)28-4-2)24-20(18)23-14-8-6-13(22)7-9-14/h3,6-11H,1,4-5H2,2H3,(H,23,24)
InChIKey WWDOITYEECROSN-UHFFFAOYSA-N
Mol Weight 380.38 g/mol
Molecular Formula C21H17FN2O4
Exact Mass 380.117235 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 G3OPiN3pCZJ
Name 6-Allyl-1-(4-fluorophenylamino)-3-(ethoxycarbonyl)-5,8-isoquinolinequinone
CAS Registry Number 129708-19-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17FN2O4
InChI InChI=1S/C21H17FN2O4/c1-3-5-12-10-17(25)18-15(19(12)26)11-16(21(27)28-4-2)24-20(18)23-14-8-6-13(22)7-9-14/h3,6-11H,1,4-5H2,2H3,(H,23,24)
InChIKey WWDOITYEECROSN-UHFFFAOYSA-N
Molecular Weight 380.375 g/mol
SMILES N(c1c2c(C(=O)C(=CC2=O)CC=C)cc(n1)C(=O)OCC)c1ccc(cc1)F
SPLASH splash10-0udj-4009000000-2ef84bc32e94607a9903
Source of Spectrum J-55-6145-6
Wiley ID 1359708