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3-pyridylmethyl 3,3,3-trideuteriopropanoate
SpectraBase Compound ID 2bhVRTGvelg
InChI InChI=1S/C9H11NO2/c1-2-9(11)12-7-8-4-3-5-10-6-8/h3-6H,2,7H2,1H3/i1D3
InChIKey MIBYGAYSSRVCOW-FIBGUPNXSA-N
Mol Weight 168.21 g/mol
Molecular Formula C9H8D3NO2
Exact Mass 168.097809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcBiEVjJz0h
Name 3-pyridylmethyl 3,3,3-trideuteriopropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8D3NO2
InChI InChI=1S/C9H11NO2/c1-2-9(11)12-7-8-4-3-5-10-6-8/h3-6H,2,7H2,1H3/i1D3
InChIKey MIBYGAYSSRVCOW-FIBGUPNXSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1016/j.jasms.2006.07.004
Molecular Weight 168.210 g/mol
SMILES C(C(OCc1cnccc1)=O)C([D])([D])[D]
SPLASH splash10-052f-7900000000-5b048fd9cf957ca08b1c
Source of Spectrum A7-17-1622-Fig 1b
Wiley ID 1857466