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2-phenylacetaldehyde-1,2-d2
SpectraBase Compound ID 2YekgFN1POD
InChI InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2/i6D,7D
InChIKey DTUQWGWMVIHBKE-QFIQSOQBSA-N
Mol Weight 122.16 g/mol
Molecular Formula C8H6D2O
Exact Mass 122.070068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBdBG3J6nmu
Name 2-phenylacetaldehyde-1,2-d2
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 122.070068368 u
Formula C8H6D2O
GC Column HP-5 (30 m x 0.32 mm x 0.25 mm)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2/i6D,7D
InChIKey DTUQWGWMVIHBKE-QFIQSOQBSA-N
Instrument Name Agilent 7890A-Unity Series 2
Ionization Type EI
Literature Reference DOI 10.1002/anie.202204889
Molecular Weight 122.163 g/mol
Quality 535
Reported Formula C8H6D2O
SMILES C1=CC(=CC=C1)C([D])C(=O)[D]
SPLASH splash10-0006-9100000000-dfea4f6ce5af1e076cea
Source of Spectrum ACI-61-SM5-2-d2 (DOI: 10.1002/anie.202204889)
Wiley ID 1899421