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6-DEUTERO-2-METHOXYCYClOHEPTA-2,4,6-TRIEN-1-ONE
SpectraBase Compound ID 7LmN7hOLHHi
InChI InChI=1S/C8H8O2/c1-10-8-6-4-2-3-5-7(8)9/h2-6H,1H3/i3D
InChIKey IQYJSKNHDZZDGA-WFVSFCRTSA-N
Mol Weight 137.16 g/mol
Molecular Formula C8H7DO2
Exact Mass 137.058706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dQRKNp0SW
Name 2-Methoxy(6-D)cyclohepta-2,4,6-trien-1-one
Alternate Name(s) 2-Methoxy-6-deuteriocyclohepta-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/i3D
InChIKey IQYJSKNHDZZDGA-WFVSFCRTSA-N
Molecular Weight 137.156 g/mol
SMILES C=1C(C(=CC=CC1[D])OC)=O
SPLASH splash10-0a4i-4900000000-3de34a56ad39c7ec3811
Source of Spectrum B-50-406-32
Wiley ID 745548