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Methyl (2R)-12-phenyl(2-deuterio)dodecanoate
SpectraBase Compound ID HXUKV3CCwR1
InChI InChI=1S/C19H30O2/c1-21-19(20)17-13-8-6-4-2-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,2-8,10,13-14,17H2,1H3/i17D/t17-/m1/s1
InChIKey UOGDZQUHDFHJKP-HLUYPWEBSA-N
Mol Weight 291.45 g/mol
Molecular Formula C19H292DO2
Exact Mass 291.230857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqI9YViHEyx
Name Methyl (2R)-12-phenyl(2-deuterio)dodecanoate
Alternate Name(s) Methyl (2S,3S)-12-phenyl(2,3-dideuterio)dodecanoate
CAS Registry Number 127251-43-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29DO2
InChI InChI=1S/C19H30O2/c1-21-19(20)17-13-8-6-4-2-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,2-8,10,13-14,17H2,1H3/i17D/t17-/m1/s1
InChIKey UOGDZQUHDFHJKP-HLUYPWEBSA-N
Molecular Weight 291.453 g/mol
SMILES C(=O)(OC)[C@@](CCCCCCCCCCc1ccccc1)([2D])[H]
SPLASH splash10-0006-9210000000-0ae756f3937014a80ccc
Source of Spectrum H-72-925-2
Wiley ID 1294065