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18-[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]-3,6,9,12-tetraoxabicyclo[12.3.1]octadeca-1(18),14,16-triene
SpectraBase Compound ID DVwJuBgdC1w
InChI InChI=1S/C21H26O4/c1-2-5-18(6-3-1)15-21-19-7-4-8-20(21)17-25-14-12-23-10-9-22-11-13-24-16-19/h1-8H,9-17H2/i1D,2D,3D,5D,6D,15D2
InChIKey BCFHXONBJLFUGH-FNLHHUJTSA-N
Mol Weight 349.48 g/mol
Molecular Formula C21H19D7O4
Exact Mass 349.227047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oAtb4DuIoF
Name 18-[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methyl]-3,6,9,12-tetraoxabicyclo[12.3.1]octadeca-1(18),14,16-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19D7O4
InChI InChI=1S/C21H26O4/c1-2-5-18(6-3-1)15-21-19-7-4-8-20(21)17-25-14-12-23-10-9-22-11-13-24-16-19/h1-8H,9-17H2/i1D,2D,3D,5D,6D,15D2
InChIKey BCFHXONBJLFUGH-FNLHHUJTSA-N
Molecular Weight 349.478 g/mol
SMILES c1(C(c2c3COCCOCCOCCOCc2ccc3)([D])[D])c(c([D])c(c(c1[D])[D])[D])[D]
SPLASH splash10-0002-0900000000-147ad1bb7057f4d4955d
Source of Spectrum KC-0-930-5
Wiley ID 822010