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5-(Benzyloxy)-1,1-diethoxy-2-hydroxyundecan-4-one

View entire compound with spectra: 1 NMR, and 2 MS (GC)

5-(Benzyloxy)-1,1-diethoxy-2-hydroxyundecan-4-one
SpectraBase Compound ID K1rz3tu0iGG
InChI InChI=1S/C22H36O5/c1-4-7-8-12-15-21(27-17-18-13-10-9-11-14-18)19(23)16-20(24)22(25-5-2)26-6-3/h9-11,13-14,20-22,24H,4-8,12,15-17H2,1-3H3
InChIKey LBHHIGAAQAJJOA-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C22H36O5
Exact Mass 380.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbX1qx7nw1Q
Name 5-(Benzyloxy)-1,1-diethoxy-2-hydroxyundecan-4-one
Comments Computed using HOSE algorithm
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Exact Mass 380.256274254 u
Formula C22H36O5
InChI InChI=1S/C22H36O5/c1-4-7-8-12-15-21(27-17-18-13-10-9-11-14-18)19(23)16-20(24)22(25-5-2)26-6-3/h9-11,13-14,20-22,24H,4-8,12,15-17H2,1-3H3
InChIKey LBHHIGAAQAJJOA-UHFFFAOYSA-N
Molecular Weight 380.525 g/mol
SMILES C(C(CC(C(CCCCCC)OCC=1C=CC=CC1)=O)O)(OCC)OCC