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

*Links on SpectraBase are not permalinks.

3,4,5,6,7,9-Hexahydro-3,3,6,6-tetramethyl-9-[2-nitrophenyl]-1H-xanthene-1,8(2H)-dione

View entire compound with spectra: 1 NMR

3,4,5,6,7,9-Hexahydro-3,3,6,6-tetramethyl-9-[2-nitrophenyl]-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID 8Jel1bUJYH6
InChI InChI=1S/C23H25NO5/c1-22(2)9-15(25)20-17(11-22)29-18-12-23(3,4)10-16(26)21(18)19(20)13-7-5-6-8-14(13)24(27)28/h5-8,19H,9-12H2,1-4H3
InChIKey ISKQVKRZTJNKOI-UHFFFAOYSA-N
Mol Weight 395.46 g/mol
Molecular Formula C23H25NO5
Exact Mass 395.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID CpaEoKkHbyL
Name 3,4,5,6,7,9-Hexahydro-3,3,6,6-tetramethyl-9-[2-nitrophenyl]-1H-xanthene-1,8(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.173272904 u
Formula C23H25NO5
InChI InChI=1S/C23H25NO5/c1-22(2)9-15(25)20-17(11-22)29-18-12-23(3,4)10-16(26)21(18)19(20)13-7-5-6-8-14(13)24(27)28/h5-8,19H,9-12H2,1-4H3
InChIKey ISKQVKRZTJNKOI-UHFFFAOYSA-N
Molecular Weight 395.455 g/mol
SMILES C1(CC(C2=C(C1)OC1=C(C2C2=CC=CC=C2N(=O)=O)C(CC(C1)(C)C)=O)=O)(C)C