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2-Pentadecyl-4-methyl-4,6,6-trideutero-1,3-dioxane
SpectraBase Compound ID IU46LzQNKZ1
InChI InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21-18-17-19(2)22-20/h19-20H,3-18H2,1-2H3/i18D2,19D
InChIKey JJFODTSQEOKCLF-MNBVEHSOSA-N
Mol Weight 315.6 g/mol
Molecular Formula C20H372D3O2
Exact Mass 315.321661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9a9OOtfbXGW
Name 2-Pentadecyl-4-methyl-4,6,6-trideutero-1,3-dioxane
CAS Registry Number 56599-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H37D3O2
InChI InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21-18-17-19(2)22-20/h19-20H,3-18H2,1-2H3/i18D2,19D
InChIKey JJFODTSQEOKCLF-MNBVEHSOSA-N
Molecular Weight 315.556 g/mol
SMILES C1(OC(CC(O1)([2D])[2D])(C)[2D])CCCCCCCCCCCCCCC
SPLASH splash10-0udi-9800000000-0e87890e949bd7e7cf0a
Source of Spectrum EP-5420-0-0
Wiley ID 1313827