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2-Buten-1-one, 1-(6,7,7-trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl)-, [1R-[1.alpha.(E),4.beta.]]-
SpectraBase Compound ID IaE0sH57JMz
InChI InChI=1S/C13H18O3/c1-5-6-11(14)13-9(2)7-10(15-16-13)8-12(13,3)4/h5-7,10H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
InChIKey XPNBBTUSYWTRDD-KOIHBYQTSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPDOQ5z9Sj7
Name 2-Buten-1-one, 1-(6,7,7-trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl)-, [1R-[1.alpha.(E),4.beta.]]-
CAS Registry Number 56083-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-5-6-11(14)13-9(2)7-10(15-16-13)8-12(13,3)4/h5-7,10H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
InChIKey XPNBBTUSYWTRDD-KOIHBYQTSA-N
Molecular Weight 222.284 g/mol
SMILES C\C=C\C(=O)[C@]12OO[C@@](CC2(C)C)(C=C1C)[H]
SPLASH splash10-014l-9000000000-76da33d4504e95b9411e
Source of Spectrum H-56-2031-2
Synonyms (2E)-1-(6,7,7-Trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl)-2-buten-1-one (E)-1-(5,8,8-trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-4-yl)-2-buten-1-one (E)-1-(5,8,8-trimethyl-2,3-dioxabicyclo[2.2.2]oct-5-en-4-yl)but-2-en-1-one
Wiley ID 1222546