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6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydrobenzofuran-5,5,7,7-D4
SpectraBase Compound ID DnCI069OL4X
InChI InChI=1S/C16H16O2/c1-16(2)9-13(17)12-8-14(18-15(12)10-16)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3/i9D2,10D2
InChIKey AWHNEQOLCZUGLU-YQUBHJMPSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H122D4O2
Exact Mass 244.140137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YZ4IGeTouV
Name 6,6-Dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydrobenzofuran-5,5,7,7-D4
CAS Registry Number 35576-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12D4O2
InChI InChI=1S/C16H16O2/c1-16(2)9-13(17)12-8-14(18-15(12)10-16)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3/i9D2,10D2
InChIKey AWHNEQOLCZUGLU-YQUBHJMPSA-N
Molecular Weight 244.326 g/mol
SMILES c12c(oc(c2)-c2ccccc2)C([2D])([2D])C(C(C1=O)([2D])[2D])(C)C
SPLASH splash10-0a4r-1900000000-a1f27166290e7d301701
Source of Spectrum O-6-86-2
Wiley ID 33123