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

*Links on SpectraBase are not permalinks.
9-(5-Amino-3-methylisoxazol-4-yl)-3-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-xanthen-1-one
SpectraBase Compound ID 96f5Q40IoPl
InChI InChI=1S/C23H19ClN2O3/c1-12-20(23(25)29-26-12)21-16-4-2-3-5-18(16)28-19-11-14(10-17(27)22(19)21)13-6-8-15(24)9-7-13/h2-9,14,21H,10-11,25H2,1H3
InChIKey HUHPXQNNNLWPJM-UHFFFAOYSA-N
Mol Weight 406.87 g/mol
Molecular Formula C23H19ClN2O3
Exact Mass 406.10842 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 Fdrgx9bdNeD
Name 9-(5-Amino-3-methylisoxazol-4-yl)-3-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-xanthen-1-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19ClN2O3
InChI InChI=1S/C23H19ClN2O3/c1-12-20(23(25)29-26-12)21-16-4-2-3-5-18(16)28-19-11-14(10-17(27)22(19)21)13-6-8-15(24)9-7-13/h2-9,14,21H,10-11,25H2,1H3
InChIKey HUHPXQNNNLWPJM-UHFFFAOYSA-N
Instrument Name GC-MS Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.093
Molecular Weight 406.869 g/mol
SMILES Nc1c(c(no1)C)C1c2c(OC3=C1C(CC(C3)c1ccc(cc1)Cl)=O)cccc2
SPLASH splash10-0002-3943100000-f1a70a253e9e1695415e
Source of Spectrum ARK-2013-361-11k
Wiley ID 1853533