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(+-)-(1S,3R,5R,6R,7S,8S,9R)-3-Ethoxy-6-methyl-2-oxatetracyclo[6.3.0.0(3,7)0(5,9)]undecan-6-ol
SpectraBase Compound ID 5yaY6VpsMFh
InChI InChI=1S/C13H20O3/c1-3-15-13-6-8-7-4-5-9(16-13)10(7)11(13)12(8,2)14/h7-11,14H,3-6H2,1-2H3/t7-,8+,9-,10-,11-,12-,13+/m0/s1
InChIKey VXTUEYXNGANYHC-JZCBZUTGSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Byggff3QMxc
Name (+-)-(1S,3R,5R,6R,7S,8S,9R)-3-Ethoxy-6-methyl-2-oxatetracyclo[6.3.0.0(3,7)0(5,9)]undecan-6-ol
CAS Registry Number 128948-30-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-3-15-13-6-8-7-4-5-9(16-13)10(7)11(13)12(8,2)14/h7-11,14H,3-6H2,1-2H3/t7-,8+,9-,10-,11-,12-,13+/m0/s1
InChIKey VXTUEYXNGANYHC-JZCBZUTGSA-N
Molecular Weight 224.300 g/mol
SMILES O[C@@]1([C@]2([C@@]3(O[C@@]4([C@@]2([C@](CC4)([H])[C@@]1([H])C3)[H])[H])OCC)[H])C
SPLASH splash10-000x-9730000000-ffe69085684072d7284f
Source of Spectrum F-46-414-8
Synonyms (1S,2R,3S,6S,8R,10R,11S)-8-ethoxy-11-methyl-7-oxatetracyclo[6.3.0.0(2,6).0(3,10)]undecan-11-ol
Wiley ID 1225292