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2-Butenoic acid, 3-ethoxy-4-[2-(2-furanyl)-1-methyl-5-oxocyclopentyl]-, ethyl ester, [1.alpha.(E),2.beta.]-(.+-.)-
SpectraBase Compound ID 65FUTLZTbrj
InChI InChI=1S/C18H24O5/c1-4-21-13(11-17(20)22-5-2)12-18(3)14(8-9-16(18)19)15-7-6-10-23-15/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3/b13-11+/t14-,18-/m1/s1
InChIKey CIFNQPRAVIWRHE-VLHCAUTOSA-N
Mol Weight 320.39 g/mol
Molecular Formula C18H24O5
Exact Mass 320.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGrFvAPGOSg
Name 2-Butenoic acid, 3-ethoxy-4-[2-(2-furanyl)-1-methyl-5-oxocyclopentyl]-, ethyl ester, [1.alpha.(E),2.beta.]-(.+-.)-
CAS Registry Number 101833-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O5
InChI InChI=1S/C18H24O5/c1-4-21-13(11-17(20)22-5-2)12-18(3)14(8-9-16(18)19)15-7-6-10-23-15/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3/b13-11+/t14-,18-/m1/s1
InChIKey CIFNQPRAVIWRHE-VLHCAUTOSA-N
Molecular Weight 320.385 g/mol
SMILES [C@@]1([C@@](c2occc2)(CCC1=O)[H])(C\C(=C/C(=O)OCC)OCC)C
SPLASH splash10-03di-0910000000-35bebbd1802282de7728
Source of Spectrum F-41-4675-10
Synonyms Ethyl (2E)-3-ethoxy-4-[(1R,2S)-2-(2-furyl)-1-methyl-5-oxocyclopentyl]-2-butenoate Ethyl(+-)-(2'.alpha.,3'.beta.-3-ethoxy-4-(3'-(2''-furyl)-2'-methylcyclopentan-1'-on-2'-yl)-2(E)buteno-ate Ethyl(+-)-(2'.alpha.,3'.beta.-3-ethoxy-4-(3'-(2''-furyl)-2'-methylcyclopentan-1'-on-2'-yl)-2(E)buteno-ate
Wiley ID 1320133