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(+-)-(1S*,3R*,5R*,7S*,8S*,9R*)-3-ethoxy-2-oxatetracyclo[6.4.0.0(3,7).0(5,9)]dodecan-6-one
SpectraBase Compound ID DKOy8yTRkaN
InChI InChI=1S/C13H18O3/c1-2-15-13-6-8-7-4-3-5-9(16-13)10(7)11(13)12(8)14/h7-11H,2-6H2,1H3/t7-,8+,9+,10-,11-,13+/m0/s1
InChIKey HGHVTHGSLVWRRB-CLPFBOMOSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7dDHoiL7Cr
Name (+-)-(1S*,3R*,5R*,7S*,8S*,9R*)-3-ethoxy-2-oxatetracyclo[6.4.0.0(3,7).0(5,9)]dodecan-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-2-15-13-6-8-7-4-3-5-9(16-13)10(7)11(13)12(8)14/h7-11H,2-6H2,1H3/t7-,8+,9+,10-,11-,13+/m0/s1
InChIKey HGHVTHGSLVWRRB-CLPFBOMOSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]12([C@@]3(O[C@]4([C@@]2([C@](CCC4)([H])[C@@](C1=O)([H])C3)[H])[H])OCC)[H]
SPLASH splash10-002b-0920000000-b009b360dbcf30a3090f
Source of Spectrum F-45-1405-21
Synonyms (1R,2S,4R,6R,8S,12S)-6-ethoxy-7-oxatetracyclo[6.4.0.0(2,6).0(4,12)]dodecan-3-one
Wiley ID 1222585