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4-(tert-butyl)-10'-methyl-6'-propyl-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-4',8'-dione

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4-(tert-butyl)-10'-methyl-6'-propyl-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-4',8'-dione
SpectraBase Compound ID KO3y05IRINi
InChI InChI=1S/C25H32O4/c1-6-7-16-12-21(27)28-22-15(2)23-19(13-18(16)22)20(26)14-25(29-23)10-8-17(9-11-25)24(3,4)5/h12-13,17H,6-11,14H2,1-5H3
InChIKey DEOLMEAZZLGPAY-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I0c5xC9G8af
Name 4-(Tert-butyl)-10'-methyl-6'-propyl-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-G]chromene]-4',8'-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-6-7-16-12-21(27)28-22-15(2)23-19(13-18(16)22)20(26)14-25(29-23)10-8-17(9-11-25)24(3,4)5/h12-13,17H,6-11,14H2,1-5H3
InChIKey DEOLMEAZZLGPAY-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C12=C(C(=O)CC3(O2)CCC(C(C)(C)C)CC3)C=C2C(=C1C)OC(C=C2CCC)=O