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14-Acetyl-3-methoxy-5-pentyl-8-oxatricyclo[4.8.1.0(1,10).0(2,7)]tetradeca-2,4,6,10-tetraene
SpectraBase Compound ID Ci5JOUiPy5I
InChI InChI=1S/C21H28O3/c1-4-5-6-8-15-11-18(23-3)21-19(12-15)24-13-16-9-7-10-17(14(2)22)20(16)21/h9,11-12,17,20H,4-8,10,13H2,1-3H3/t17?,20-/m1/s1
InChIKey QWIFZJMIOFTEOK-UUSAFJCLSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Pm7eRMycUk
Name 14-Acetyl-3-methoxy-5-pentyl-8-oxatricyclo[4.8.1.0(1,10).0(2,7)]tetradeca-2,4,6,10-tetraene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.203844759 u
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-4-5-6-8-15-11-18(23-3)21-19(12-15)24-13-16-9-7-10-17(14(2)22)20(16)21/h9,11-12,17,20H,4-8,10,13H2,1-3H3/t17?,20-/m1/s1
InChIKey QWIFZJMIOFTEOK-UUSAFJCLSA-N
Molecular Weight 328.452 g/mol
SMILES C1=2[C@@]3(C(=CCCC3C(=O)C)COC1=CC(=CC2OC)CCCCC)[H]