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

*Links on SpectraBase are not permalinks.
9-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
SpectraBase Compound ID 6a2RT1arcyS
InChI InChI=1S/C22H19FN2O3/c23-13-9-7-12(8-10-13)22-14(11-24-25-22)19-20-15(26)3-1-5-17(20)28-18-6-2-4-16(27)21(18)19/h7-11,19H,1-6H2,(H,24,25)
InChIKey OWVUVYIEVYTHKG-UHFFFAOYSA-N
Mol Weight 378.4 g/mol
Molecular Formula C22H19FN2O3
Exact Mass 378.137971 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 Wq4Fgg2LXd
Name 9-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19FN2O3
InChI InChI=1S/C22H19FN2O3/c23-13-9-7-12(8-10-13)22-14(11-24-25-22)19-20-15(26)3-1-5-17(20)28-18-6-2-4-16(27)21(18)19/h7-11,19H,1-6H2,(H,24,25)
InChIKey OWVUVYIEVYTHKG-UHFFFAOYSA-N
Molecular Weight 378.403 g/mol
SMILES [nH]1nc(c(c1)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)-c1ccc(cc1)F
SPLASH splash10-00b9-5976000000-a9bd3ac52b678e7821d0
Synonyms 9-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-quinone
Wiley ID 1452676