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Cyclopentanecarboxylic acid, 1-[3-(ethoxy-D5)-2-propenyl]-2-oxo-, ethyl ester, (Z)-
SpectraBase Compound ID 2D5ZlkPLf1I
InChI InChI=1S/C13H20O4/c1-3-16-10-6-9-13(12(15)17-4-2)8-5-7-11(13)14/h6,10H,3-5,7-9H2,1-2H3/b10-6-/i1D3,3D2
InChIKey NWHPFWOABAKSHT-CMRBQRRYSA-N
Mol Weight 245.33 g/mol
Molecular Formula C13H152D5O4
Exact Mass 245.167543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IGM7UDbmX1
Name Cyclopentanecarboxylic acid, 1-[3-(ethoxy-D5)-2-propenyl]-2-oxo-, ethyl ester, (Z)-
CAS Registry Number 106094-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15D5O4
InChI InChI=1S/C13H20O4/c1-3-16-10-6-9-13(12(15)17-4-2)8-5-7-11(13)14/h6,10H,3-5,7-9H2,1-2H3/b10-6-/i1D3,3D2
InChIKey NWHPFWOABAKSHT-CMRBQRRYSA-N
Molecular Weight 245.330 g/mol
SMILES C1(C(=O)OCC)(C(=O)CCC1)C\C=C/OC(C([2D])([2D])[2D])([2D])[2D]
SPLASH splash10-052f-9100000000-c9afad922e28184d75e8
Source of Spectrum C-109-1167-5
Synonyms Ethyl 1-[3-(ethoxy-D5)-2-propenyl]-2-oxocyclopentanecarboxylate
Wiley ID 1242922