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Cyclopropanecarboxylic acid, 2-(4-ethoxy-4-oxo-2-butenyl)-, ethyl ester, [1.alpha.,2.beta.(E)]-
SpectraBase Compound ID AxMbDg9gW9l
InChI InChI=1S/C12H18O4/c1-3-15-11(13)7-5-6-9-8-10(9)12(14)16-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+/t9-,10-/m0/s1
InChIKey DXDYOVDAFZQOFJ-MLXLLJIISA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBpoTtFbSto
Name Cyclopropanecarboxylic acid, 2-(4-ethoxy-4-oxo-2-butenyl)-, ethyl ester, [1.alpha.,2.beta.(E)]-
Alternate Name(s) Ethyl (1S,2S)-2-[(2E)-4-ethoxy-4-oxo-2-butenyl]cyclopropanecarboxylate Ethyl e-4-(2'-carbethoxycyclopropyl)-2-butenoate
CAS Registry Number 127599-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-15-11(13)7-5-6-9-8-10(9)12(14)16-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+/t9-,10-/m0/s1
InChIKey DXDYOVDAFZQOFJ-MLXLLJIISA-N
Molecular Weight 226.272 g/mol
SMILES [C@]1(C[C@@]1(C\C=C\C(=O)OCC)[H])(C(=O)OCC)[H]
SPLASH splash10-0561-9400000000-0a39f0aa2463c35ee14d
Source of Spectrum I-68-500-10
Wiley ID 1227326