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Methyl (5E)-4,4-Dimethyl-6-[(2R,3R)-3-methyloxiran-2-yl]-3-oxohex-5-enoate
SpectraBase Compound ID G7wlnn8eHey
InChI InChI=1S/C12H18O4/c1-8-9(16-8)5-6-12(2,3)10(13)7-11(14)15-4/h5-6,8-9H,7H2,1-4H3/b6-5+/t8-,9-/m1/s1
InChIKey UFJWFLLYODKQDZ-JKKBLNIGSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyA0KKISz3l
Name Methyl (5E)-4,4-Dimethyl-6-[(2R,3R)-3-methyloxiran-2-yl]-3-oxohex-5-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-8-9(16-8)5-6-12(2,3)10(13)7-11(14)15-4/h5-6,8-9H,7H2,1-4H3/b6-5+/t8-,9-/m1/s1
InChIKey UFJWFLLYODKQDZ-JKKBLNIGSA-N
Literature Reference DOI 10.1002/cbdv.200890003
Molecular Weight 226.272 g/mol
SMILES C(C(C(\C=C\[C@@]1([C@](O1)(C)[H])[H])(C)C)=O)C(OC)=O
SPLASH splash10-0006-9400000000-d5c2df4ff6627f576a9e
Source of Spectrum CBD-5-137-(R,R)_(E)_11
Synonyms Methyl (E)-4,4-dimethyl-6-((2R,3R)-3-methyloxiran-2-yl)-3-oxohex-5-enoate
Wiley ID 1788617