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

*Links on SpectraBase are not permalinks.
2-(3,4-di(Isopropyl)oxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
SpectraBase Compound ID BDWhOIBkmTg
InChI InChI=1S/C21H24O6/c1-11(2)25-17-6-5-13(7-19(17)26-12(3)4)18-10-16(24)21-15(23)8-14(22)9-20(21)27-18/h5-9,11-12,18,22-23H,10H2,1-4H3
InChIKey MJBXNTAWVXNJEN-UHFFFAOYSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 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 3vMGgkE9Msd
Name 2-(3,4-di(Isopropyl)oxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.157288487 u
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-11(2)25-17-6-5-13(7-19(17)26-12(3)4)18-10-16(24)21-15(23)8-14(22)9-20(21)27-18/h5-9,11-12,18,22-23H,10H2,1-4H3
InChIKey MJBXNTAWVXNJEN-UHFFFAOYSA-N
Molecular Weight 372.417 g/mol
SMILES C1=C(C(OC(C)C)=CC=C1C1CC(C2=C(C=C(C=C2O)O)O1)=O)OC(C)C