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[4-(2)H,9-(2)H(3)]-6,8-Dimethoxy-3,7-dimethylisocoumarin
SpectraBase Compound ID 3WO7GG2kRXL
InChI InChI=1S/C13H14O4/c1-7-5-9-6-10(15-3)8(2)12(16-4)11(9)13(14)17-7/h5-6H,1-4H3/i1D3,5D
InChIKey GKOWDBOLZOBGJA-DUVDRHTGSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H102D4O4
Exact Mass 238.114316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FljuWht4lyU
Name [4-(2)H,9-(2)H(3)]-6,8-Dimethoxy-3,7-dimethylisocoumarin
Alternate Name(s) 1H-2-Benzopyran-1-one-4-d, 6,8-dimethoxy-7-methyl-3-(methyl-D3)- 6,8-Dimethoxy-3,7-dimethylisocoumarin
CAS Registry Number 114992-31-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10D4O4
InChI InChI=1S/C13H14O4/c1-7-5-9-6-10(15-3)8(2)12(16-4)11(9)13(14)17-7/h5-6H,1-4H3/i1D3,5D
InChIKey GKOWDBOLZOBGJA-DUVDRHTGSA-N
Molecular Weight 238.275 g/mol
SMILES c12C(OC(=C(c2cc(OC)c(c1OC)C)[2D])C([2D])([2D])[2D])=O
SPLASH splash10-007c-0590000000-6a0720a7e5a0a4ea6c47
Source of Spectrum KC-1988-753-18
Wiley ID 1235953