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2-Propenal, 3-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-
SpectraBase Compound ID 81HYtdRWMts
InChI InChI=1S/C12H18O2/c1-10(2)6-4-7-11(3)12(10,14-11)8-5-9-13/h5,8-9H,4,6-7H2,1-3H3/b8-5+
InChIKey GWLZALBEUUMVQS-VMPITWQZSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DXSf1u6dTA
Name 2-Propenal, 3-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-
CAS Registry Number 55759-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-10(2)6-4-7-11(3)12(10,14-11)8-5-9-13/h5,8-9H,4,6-7H2,1-3H3/b8-5+
InChIKey GWLZALBEUUMVQS-VMPITWQZSA-N
Molecular Weight 194.274 g/mol
SMILES CC1(C)CCCC2(C)OC12\C=C\C=O
SPLASH splash10-0a4l-9800000000-525670929b705a7b1220
Source of Spectrum H-56-2163-5
Synonyms (2E)-3-(2,2,6-Trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-2-propenal (E)-3-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-2-propenal (E)-3-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)acrolein (E)-3-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)prop-2-enal
Wiley ID 1191005