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7-Fluoromethyl-2,4-dimethoxy-7,8,9,10,11,14-hexahydro-6-oxabenzocyclododecan-5-one

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

7-Fluoromethyl-2,4-dimethoxy-7,8,9,10,11,14-hexahydro-6-oxabenzocyclododecan-5-one
SpectraBase Compound ID 72m0px1NPoK
InChI InChI=1S/C18H25FO4/c1-21-15-10-13-8-6-4-3-5-7-9-14(12-19)23-18(20)17(13)16(11-15)22-2/h10-11,14H,3-9,12H2,1-2H3
InChIKey SODAPSZZNMWVQM-UHFFFAOYSA-N
Mol Weight 324.39 g/mol
Molecular Formula C18H25FO4
Exact Mass 324.173687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWfTnr2QEd1
Name 7-Fluoromethyl-2,4-dimethoxy-7,8,9,10,11,14-hexahydro-6-oxabenzocyclododecan-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.173687444 u
Formula C18H25FO4
InChI InChI=1S/C18H25FO4/c1-21-15-10-13-8-6-4-3-5-7-9-14(12-19)23-18(20)17(13)16(11-15)22-2/h10-11,14H,3-9,12H2,1-2H3
InChIKey SODAPSZZNMWVQM-UHFFFAOYSA-N
Molecular Weight 324.392 g/mol
SMILES C1(C2=C(C=C(C=C2CCCCCCCC(O1)CF)OC)OC)=O