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Methyl 2-[3'-oxo-2'-(2",3"-dideuterio)pent-2"-enyl)cyclopent-1'-enyl]actate
SpectraBase Compound ID K7SARTDpgvU
InChI InChI=1S/C13H18O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5H,3,6-9H2,1-2H3/b5-4+/i4D,5D
InChIKey PYCUPWADDRWLFR-AXXYTVHGSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H162D2O3
Exact Mass 224.138148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AfndQ8Q9EO0
Name Methyl 2-[3'-oxo-2'-(2",3"-dideuterio)pent-2"-enyl)cyclopent-1'-enyl]actate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16D2O3
InChI InChI=1S/C13H18O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5H,3,6-9H2,1-2H3/b5-4+/i4D,5D
InChIKey PYCUPWADDRWLFR-AXXYTVHGSA-N
Molecular Weight 224.296 g/mol
SMILES C1(=C(C(=O)CC1)C\C(=C\(CC)[2D])[2D])CC(=O)OC
SPLASH splash10-0zmj-2910000000-b712281b154d46729836
Source of Spectrum H-80-849-0
Wiley ID 1222692