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Methyl 10-oxoundecanoate-4,4,7,7-D4
SpectraBase Compound ID KQYiZtYJFuZ
InChI InChI=1S/C12H22O3/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2/h3-10H2,1-2H3/i5D2,6D2
InChIKey TXRMRSKJQBFMRQ-NZLXMSDQSA-N
Mol Weight 218.33 g/mol
Molecular Formula C12H182D4O3
Exact Mass 218.182002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vW7rF5nMVU
Name Methyl 10-oxoundecanoate-4,4,7,7-D4
CAS Registry Number 39058-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18D4O3
InChI InChI=1S/C12H22O3/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2/h3-10H2,1-2H3/i5D2,6D2
InChIKey TXRMRSKJQBFMRQ-NZLXMSDQSA-N
Molecular Weight 218.329 g/mol
SMILES C(=O)(OC)CCC(CCC(CCC(=O)C)([2D])[2D])([2D])[2D]
SPLASH splash10-0kbf-9600000000-313a472b2d3b5500b83c
Source of Spectrum H-55-2424-3
Wiley ID 1213673