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(E)-4-((1R,2S,6R)-2-Hydroxy-1,3,3-trimethyl-7-oxa-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one
SpectraBase Compound ID YzQFcOLMA6
InChI InChI=1S/C13H20O3/c1-9(14)5-8-13(15)11(2,3)7-6-10-12(13,4)16-10/h5,8,10,15H,6-7H2,1-4H3/b8-5+/t10-,12-,13+/m1/s1
InChIKey MXUWZPSBLCBLOL-IEEPYVETSA-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 GWb5xggofWf
Name (E)-4-((1R,2S,6R)-2-Hydroxy-1,3,3-trimethyl-7-oxa-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one
Alternate Name(s) 3-Methyl-4-(1,3,3-trimethyl-7-oxa-bicyclo[4.1.0]hept-2-yl)-but-3-en-2-one
CAS Registry Number 80924-35-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9(14)5-8-13(15)11(2,3)7-6-10-12(13,4)16-10/h5,8,10,15H,6-7H2,1-4H3/b8-5+/t10-,12-,13+/m1/s1
InChIKey MXUWZPSBLCBLOL-IEEPYVETSA-N
Molecular Weight 224.300 g/mol
SMILES O[C@@]1([C@@]2(O[C@@]2(CCC1(C)C)[H])C)\C=C\C(=O)C
SPLASH splash10-0adm-9400000000-6f5cb989bd1425a373c1
Source of Spectrum H-64-2688-9
Wiley ID 1225237