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3-Methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-5,5,7,7-D4
SpectraBase Compound ID 180I53X7CBc
InChI InChI=1S/C9H10O2/c1-6-5-11-8-4-2-3-7(10)9(6)8/h5H,2-4H2,1H3/i3D2,4D2
InChIKey HVXIXLZOMVQEPY-KHORGVISSA-N
Mol Weight 154.2 g/mol
Molecular Formula C9H6D4O2
Exact Mass 154.093187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFQak4jpVKq
Name 3-Methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-5,5,7,7-D4
CAS Registry Number 35576-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6D4O2
InChI InChI=1S/C9H10O2/c1-6-5-11-8-4-2-3-7(10)9(6)8/h5H,2-4H2,1H3/i3D2,4D2
InChIKey HVXIXLZOMVQEPY-KHORGVISSA-N
Molecular Weight 154.201 g/mol
SMILES c12c(occ2C)C([D])([D])CC(C1=O)([D])[D]
SPLASH splash10-01b9-9600000000-78fc2cc64c1a14883e50
Source of Spectrum O-6-86-1
Wiley ID 10020