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2-Propenoic acid, 3,3'-(1,3-cyclobutanediyl)bis-, dimethyl ester, [1.alpha.(E),3.alpha.(E)]-
SpectraBase Compound ID 8tGK5EjC4pA
InChI InChI=1S/C12H16O4/c1-15-11(13)5-3-9-7-10(8-9)4-6-12(14)16-2/h3-6,9-10H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10+
InChIKey GMAPCBLTSXMWOX-YVRBYKCLSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3N3tVG6eI9y
Name 2-Propenoic acid, 3,3'-(1,3-cyclobutanediyl)bis-, dimethyl ester, [1.alpha.(E),3.alpha.(E)]-
Alternate Name(s) cis-1,3-bis[trans,trans-2-(methoxycarbonyl)vinyl]cyclobutane Methyl (2E)-3-{3-[(1E)-3-methoxy-3-oxo-1-propenyl]cyclobutyl}-2-propenoate
CAS Registry Number 77614-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-15-11(13)5-3-9-7-10(8-9)4-6-12(14)16-2/h3-6,9-10H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10+
InChIKey GMAPCBLTSXMWOX-YVRBYKCLSA-N
Molecular Weight 224.256 g/mol
SMILES C(\C=C\[C@]1(C[C@@](\C=C\C(=O)OC)(C1)[H])[H])(=O)OC
SPLASH splash10-01q9-9400000000-774cf9b3b58e89cfe50e
Source of Spectrum K-114-986-0
Wiley ID 1224898