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[p-Methylphenyl][4'-(t-Butylmethoxy)-2',3'-perdeutereiodimethyl-5'-monodeuteriomethylphenyl]Ketone
SpectraBase Compound ID Ja22iNkM017
InChI InChI=1S/C22H28O2/c1-14-8-10-18(11-9-14)20(23)19-12-15(2)21(17(4)16(19)3)24-13-22(5,6)7/h8-12H,13H2,1-7H3/i2D,3D3,4D3
InChIKey MFBCSLIMYUNPFU-YVAZSMJISA-N
Mol Weight 331.51 g/mol
Molecular Formula C22H212D7O2
Exact Mass 331.252867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gyGSsVc7Am
Name [p-Methylphenyl][4'-(t-Butylmethoxy)-2',3'-perdeutereiodimethyl-5'-monodeuteriomethylphenyl]Ketone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21D7O2
InChI InChI=1S/C22H28O2/c1-14-8-10-18(11-9-14)20(23)19-12-15(2)21(17(4)16(19)3)24-13-22(5,6)7/h8-12H,13H2,1-7H3/i2D,3D3,4D3
InChIKey MFBCSLIMYUNPFU-YVAZSMJISA-N
Molecular Weight 331.507 g/mol
SMILES c1(c(c(c(OCC(C)(C)C)c(c1)C[2D])C([2D])([2D])[2D])C([2D])([2D])[2D])C(c1ccc(C)cc1)=O
SPLASH splash10-01q9-0009000000-f06962ba7ea6bfaed5f6
Source of Spectrum C-123-3433-3a-d7
Wiley ID 1700575