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(1S,5R,6R)-5-((E)-3,3-Diethoxy-propenyl)-5-hydroxy-7-oxa-bicyclo[4.1.0]hept-3-en-2-one
SpectraBase Compound ID 1yaMFN7tX0k
InChI InChI=1S/C13H18O5/c1-3-16-10(17-4-2)6-8-13(15)7-5-9(14)11-12(13)18-11/h5-8,10-12,15H,3-4H2,1-2H3/b8-6+/t11-,12-,13+/m1/s1
InChIKey GUCJWZBVXWYALE-VOCCBQJNSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9J2AzxW48k
Name (1S,5R,6R)-5-((E)-3,3-Diethoxy-propenyl)-5-hydroxy-7-oxa-bicyclo[4.1.0]hept-3-en-2-one
Alternate Name(s) (1S,5R,6R)-5-[(1E)-3,3-diethoxy-1-propenyl]-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one 5-(3,3-Diethoxypropenyl)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-3-16-10(17-4-2)6-8-13(15)7-5-9(14)11-12(13)18-11/h5-8,10-12,15H,3-4H2,1-2H3/b8-6+/t11-,12-,13+/m1/s1
InChIKey GUCJWZBVXWYALE-VOCCBQJNSA-N
Molecular Weight 254.282 g/mol
SMILES O[C@]1([C@]2([C@@](C(=O)C=C1)(O2)[H])[H])\C=C\C(OCC)OCC
SPLASH splash10-0a4i-0980000000-beb1e0f20a476fc7ce3a
Source of Spectrum QE-7-2368-59
Wiley ID 845633