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

*Links on SpectraBase are not permalinks.
3-Anthracen-9-yl-1,6,6-trimethyl-2,7-dioxabicyclo[2.2.1]heptane-5-one
SpectraBase Compound ID LIEiAvdqNDo
InChI InChI=1S/C22H20O3/c1-21(2)20(23)19-18(24-22(21,3)25-19)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17/h4-12,18-19H,1-3H3
InChIKey JWOPGDDSACQMSY-UHFFFAOYSA-N
Mol Weight 332.4 g/mol
Molecular Formula C22H20O3
Exact Mass 332.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID ExXenW1wQy3
Name 3-Anthracen-9-yl-1,6,6-trimethyl-2,7-dioxabicyclo[2.2.1]heptane-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.141244501 u
Formula C22H20O3
InChI InChI=1S/C22H20O3/c1-21(2)20(23)19-18(24-22(21,3)25-19)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17/h4-12,18-19H,1-3H3
InChIKey JWOPGDDSACQMSY-UHFFFAOYSA-N
Molecular Weight 332.399 g/mol
SMILES C12(OC(C(C(C2(C)C)=O)O1)C1=C2C(=CC3=CC=CC=C13)C=CC=C2)C