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Piceol-2,2,2,2',6'-d5
SpectraBase Compound ID 4UTXtYuYw6G
InChI InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3/i1D3,2D,3D
InChIKey TXFPEBPIARQUIG-RHIBPKLGSA-N
Mol Weight 141.18 g/mol
Molecular Formula C8H3D5O2
Exact Mass 141.083813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoQsufDPIKb
Name Piceol-2,2,2,2',6'-d5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 141.083813225 u
Formula C8H3D5O2
InChI InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3/i1D3,2D,3D
InChIKey TXFPEBPIARQUIG-RHIBPKLGSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/chem.202100468
Molecular Weight 141.181 g/mol
Quality 1000
SMILES OC=1C=C(C(=C(C1)[D])C(=O)C([D])([D])[D])[D]
SPLASH splash10-00kb-9100000000-a9df521a783f82eace7f
Source of Spectrum QE-27-SM60-16-d5 (DOI: 10.1002/chem.202100468)
Wiley ID 1910215