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1-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-propen-1-one

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1-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-propen-1-one
SpectraBase Compound ID FhP3bpcPJRx
InChI InChI=1S/C17H22O6/c1-2-15(18)14-3-4-16-17(13-14)23-12-10-21-8-6-19-5-7-20-9-11-22-16/h2-4,13H,1,5-12H2
InChIKey ZRGDRZYOOYVTFA-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C17H22O6
Exact Mass 322.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOerhT7HmUs
Name 1-(2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)-2-propen-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.141638422 u
Formula C17H22O6
InChI InChI=1S/C17H22O6/c1-2-15(18)14-3-4-16-17(13-14)23-12-10-21-8-6-19-5-7-20-9-11-22-16/h2-4,13H,1,5-12H2
InChIKey ZRGDRZYOOYVTFA-UHFFFAOYSA-N
Molecular Weight 322.357 g/mol
SMILES C12=CC(C(C=C)=O)=CC=C2OCCOCCOCCOCCO1