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(4S,5R)-4,5-Diethyl-3-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-yl)-4,5-dihydro-isoxazole
SpectraBase Compound ID 3KKCaL6VrGR
InChI InChI=1S/C13H21NO4/c1-4-9-10(5-2)18-14-11(9)13-15-6-12(3,7-16-13)8-17-13/h9-10H,4-8H2,1-3H3/t9-,10-,12-,13?/m1/s1
InChIKey ALCAKRCDCIJFHU-RSRJGPJESA-N
Mol Weight 255.31 g/mol
Molecular Formula C13H21NO4
Exact Mass 255.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1S5f455ZG75
Name (4S,5R)-4,5-Diethyl-3-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-yl)-4,5-dihydro-isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO4
InChI InChI=1S/C13H21NO4/c1-4-9-10(5-2)18-14-11(9)13-15-6-12(3,7-16-13)8-17-13/h9-10H,4-8H2,1-3H3/t9-,10-,12-,13?/m1/s1
InChIKey ALCAKRCDCIJFHU-RSRJGPJESA-N
Molecular Weight 255.314 g/mol
SMILES C1(C23OCC(CO3)(C)CO2)=NO[C@@]([C@]1(CC)[H])(CC)[H]
SPLASH splash10-0aor-7910000000-cfc74b0c20250aa0cfb0
Source of Spectrum AT-40-7959-0
Wiley ID 854711