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Methyl 10-oxoundecanoate-3,3,8,8-D4

View entire compound with spectra: 1 MS (GC)

Methyl 10-oxoundecanoate-3,3,8,8-D4
SpectraBase Compound ID GvbES2xJi9I
InChI InChI=1S/C12H22O3/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2/h3-10H2,1-2H3/i7D2,8D2
InChIKey TXRMRSKJQBFMRQ-OSEHSPPNSA-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 9accvm72JaA
Name Methyl 10-oxoundecanoate-3,3,8,8-D4
CAS Registry Number 39058-39-4
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/i7D2,8D2
InChIKey TXRMRSKJQBFMRQ-OSEHSPPNSA-N
Molecular Weight 218.329 g/mol
SMILES C(=O)(OC)CC(CCCCC(CC(=O)C)([2D])[2D])([2D])[2D]
SPLASH splash10-054o-9400000000-0a44cdf8326aa8849ce4
Source of Spectrum H-55-2424-2
Wiley ID 1213672