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(4as,8ar,9ar,10As)-decahydro-1,8,10-trioxaanthracene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(4as,8ar,9ar,10As)-decahydro-1,8,10-trioxaanthracene
SpectraBase Compound ID 9GoPXJqTX9F
InChI InChI=1S/C18H24O4/c1-2-6-13(7-3-1)12-21-18-16-14(8-4-10-19-16)22-15-9-5-11-20-17(15)18/h1-3,6-7,14-18H,4-5,8-12H2/t14-,15-,16-,17-/m0/s1
InChIKey VXAYDRJGHWFHPI-QAETUUGQSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97oEa4PbSrD
Name (4as,8ar,9ar,10As)-decahydro-1,8,10-trioxaanthracene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.167459249 u
Formula C18H24O4
InChI InChI=1S/C18H24O4/c1-2-6-13(7-3-1)12-21-18-16-14(8-4-10-19-16)22-15-9-5-11-20-17(15)18/h1-3,6-7,14-18H,4-5,8-12H2/t14-,15-,16-,17-/m0/s1
InChIKey VXAYDRJGHWFHPI-QAETUUGQSA-N
SMILES C1([C@@]2([C@@](CCCO2)([H])O[C@@]2([C@@]1(OCCC2)[H])[H])[H])OCC1=CC=CC=C1