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2-Benzoyloxy-1-(2-benzoyloxy-5-methylphenyldideuteromethyl)-5-toluene
SpectraBase Compound ID 86HkVDujt0U
InChI InChI=1S/C29H24O4/c1-20-13-15-26(32-28(30)22-9-5-3-6-10-22)24(17-20)19-25-18-21(2)14-16-27(25)33-29(31)23-11-7-4-8-12-23/h3-18H,19H2,1-2H3/i19D2
InChIKey LGHJXHNKEJYPNW-FKUWIZNHSA-N
Mol Weight 438.52 g/mol
Molecular Formula C29H222D2O4
Exact Mass 438.180013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXfMjM6hDwg
Name 2-Benzoyloxy-1-(2-benzoyloxy-5-methylphenyldideuteromethyl)-5-toluene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H22D2O4
InChI InChI=1S/C29H24O4/c1-20-13-15-26(32-28(30)22-9-5-3-6-10-22)24(17-20)19-25-18-21(2)14-16-27(25)33-29(31)23-11-7-4-8-12-23/h3-18H,19H2,1-2H3/i19D2
InChIKey LGHJXHNKEJYPNW-FKUWIZNHSA-N
Molecular Weight 438.519 g/mol
SMILES C(Oc1c(C(c2c(OC(=O)c3ccccc3)ccc(c2)C)([2D])[2D])cc(cc1)C)(=O)c1ccccc1
SPLASH splash10-0a4i-1904000000-2adb2c7c13ca17e3ba83
Source of Spectrum O-14-287-1
Wiley ID 1383675