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1H-Bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one, 2,3,13,13a-tetrahydro-3,3-dimethyl-
SpectraBase Compound ID 2nqHXyRoGzU
InChI InChI=1S/C21H20O4/c1-21(2)10-9-13-16(25-21)8-7-14-19(22)18-12-5-3-4-6-15(12)23-11-17(18)24-20(13)14/h3-8,17-18H,9-11H2,1-2H3
InChIKey NCBAJZNHOSYORI-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GdONPXqNLhG
Name 1H-bis[1]Benzopyrano[3,4-B:6',5'-E]pyran-7(7ah)-one, 2,3,13,13A-tetrahydro-3,3-dimethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.136159120 u
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-21(2)10-9-13-16(25-21)8-7-14-19(22)18-12-5-3-4-6-15(12)23-11-17(18)24-20(13)14/h3-8,17-18H,9-11H2,1-2H3
InChIKey NCBAJZNHOSYORI-UHFFFAOYSA-N
Molecular Weight 336.387 g/mol
SMILES C=12C(C(=O)C3C(O2)COC2=CC=CC=C32)=CC=C2C1CCC(C)(C)O2