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4-DEUTERO-2-METHOXYCYClOHEPTA-2,4,6-TRIEN-1-ONE
SpectraBase Compound ID 1GNZzA0WW1G
InChI InChI=1S/C8H8O2/c1-10-8-6-4-2-3-5-7(8)9/h2-6H,1H3/i4D
InChIKey IQYJSKNHDZZDGA-QYKNYGDISA-N
Mol Weight 137.16 g/mol
Molecular Formula C8H72HO2
Exact Mass 137.058706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aW7oYcImqu
Name 2-Methoxy(4-D)cyclohepta-2,4,6-trien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7DO2
InChI InChI=1S/C8H8O2/c1-10-8-6-4-2-3-5-7(8)9/h2-6H,1H3/i4D
InChIKey IQYJSKNHDZZDGA-QYKNYGDISA-N
Molecular Weight 137.156 g/mol
SMILES C1=C(C(C=CC=C1[D])=O)OC
SPLASH splash10-0a4i-0900000000-6945167af3e4774ca1b8
Source of Spectrum B-50-405-26
Synonyms 2-Methoxy-4-deuteriocyclohepta-2,4,6-trien-1-one
Wiley ID 745550