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3-pyridylmethyl 2,2-dideuteriopentanoate
SpectraBase Compound ID F7TA30yUbt3
InChI InChI=1S/C11H15NO2/c1-2-3-6-11(13)14-9-10-5-4-7-12-8-10/h4-5,7-8H,2-3,6,9H2,1H3/i6D2
InChIKey DAFYUHCPEBNGKG-NCYHJHSESA-N
Mol Weight 195.26 g/mol
Molecular Formula C11H13D2NO2
Exact Mass 195.122832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ex0m9rANyh
Name 3-pyridylmethyl 2,2-dideuteriopentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13D2NO2
InChI InChI=1S/C11H15NO2/c1-2-3-6-11(13)14-9-10-5-4-7-12-8-10/h4-5,7-8H,2-3,6,9H2,1H3/i6D2
InChIKey DAFYUHCPEBNGKG-NCYHJHSESA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1016/j.jasms.2006.07.004
Molecular Weight 195.258 g/mol
SMILES C([D])([D])(C(OCc1cnccc1)=O)CCC
SPLASH splash10-0006-9700000000-6caabb9bcc2f91664f43
Source of Spectrum A7-17-1623-Fig 2a
Wiley ID 1857467