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D7-3,4-methylenedioxyisovalerophenone
SpectraBase Compound ID EAy5AT2YGMH
InChI InChI=1S/C12H14O3/c1-8(2)5-10(13)9-3-4-11-12(6-9)15-7-14-11/h3-4,6,8H,5,7H2,1-2H3/i1D3,2D3,8D
InChIKey PYJUDLMZSCWVRX-UNAVHCQLSA-N
Mol Weight 213.28 g/mol
Molecular Formula C12H7D7O3
Exact Mass 213.138232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVlUbCb2gH2
Name D7-3,4-methylenedioxyisovalerophenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7D7O3
InChI InChI=1S/C12H14O3/c1-8(2)5-10(13)9-3-4-11-12(6-9)15-7-14-11/h3-4,6,8H,5,7H2,1-2H3/i1D3,2D3,8D
InChIKey PYJUDLMZSCWVRX-UNAVHCQLSA-N
Literature Reference DOI 10.1002/rcm.7603
Molecular Weight 213.284 g/mol
SMILES c12cc(ccc2OCO1)C(=O)CC(C([D])([D])[D])(C([D])([D])[D])[D]
SPLASH splash10-0002-2910000000-bf586eefcfbfc0207502
Source of Spectrum RCM-30-SM4-SM4_2
Synonyms 1-(benzo[d][1,3]dioxol-5-yl)-3-(methyl-d3)butan-1-one-3,4,4,4-d4
Wiley ID 1813809