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Cyclopentanone, 2-(2-methoxyethyl)-3-methyl-2-(3-oxo-1-butenyl)-, [2S-[2.alpha.(E),3.alpha.]]-
SpectraBase Compound ID AXtK86KEkwr
InChI InChI=1S/C13H20O3/c1-10-4-5-12(15)13(10,8-9-16-3)7-6-11(2)14/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+/t10-,13+/m1/s1
InChIKey VFKRYPWZOBKRSC-BGLVSGNDSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyOF7K5cAIK
Name Cyclopentanone, 2-(2-methoxyethyl)-3-methyl-2-(3-oxo-1-butenyl)-, [2S-[2.alpha.(E),3.alpha.]]-
CAS Registry Number 128790-26-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-10-4-5-12(15)13(10,8-9-16-3)7-6-11(2)14/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+/t10-,13+/m1/s1
InChIKey VFKRYPWZOBKRSC-BGLVSGNDSA-N
Molecular Weight 224.300 g/mol
SMILES [C@@]1(\C=C\C(=O)C)(C(CC[C@]1(C)[H])=O)CCOC
SPLASH splash10-056r-9500000000-a249a3494395acca5741
Source of Spectrum F-46-769-17
Synonyms (2S,3R)-2-(2-methoxyethyl)-3-methyl-2-(3-oxo-1-butenyl)-cyclopentanone (2S,3R)-2-(2-methoxyethyl)-3-methyl-2-[(1E)-3-oxo-1-butenyl]cyclopentanone
Wiley ID 1225295