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3-Buten-2-one-1,1,1-D3, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, (E)-
SpectraBase Compound ID 5U3SME3r85E
InChI InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+/i1D3
InChIKey ZTJZJYUGOJYHCU-YKYFUDHHSA-N
Mol Weight 211.32 g/mol
Molecular Formula C13H172D3O2
Exact Mass 211.16516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3n9NXPq2xnr
Name 3-Buten-2-one-1,1,1-D3, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, (E)-
CAS Registry Number 65967-74-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17D3O2
InChI InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+/i1D3
InChIKey ZTJZJYUGOJYHCU-YKYFUDHHSA-N
Molecular Weight 211.319 g/mol
SMILES C12(OC2(CCCC1(C)C)C)\C=C\C(=O)C([2D])([2D])[2D]
SPLASH splash10-05mo-9500000000-b02e811b79cf8867500a
Source of Spectrum H-60-2995-0
Synonyms 7-Oxabicyclo[4.1.0]heptane, 3-butene-2-one-1,1,1-D3 deriv. (E)-1-Trideutero-4-(2',2',6'-trimethyl-1',6'-epoxy-1'-cyclohexyl)-3-buten-2-one
Wiley ID 1207133