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2-(2-(Benzyloxy)-[1-(13)C]ethyl)-2,5,5-[2-13C]trimethyl-1,3-dioxane
SpectraBase Compound ID GY716s0a5j3
InChI InChI=1S/C16H24O3/c1-15(2)12-18-16(3,19-13-15)9-10-17-11-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/i9+1,16+1
InChIKey SPAVFQIDLBGUNW-QZZXWHIHSA-N
Mol Weight 266.35 g/mol
Molecular Formula C1413C2H24O3
Exact Mass 266.179254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSoWg22Ke9N
Name 2-(2-(Benzyloxy)-[1-(13)C]ethyl)-2,5,5-[2-13C]trimethyl-1,3-dioxane
Alternate Name(s) 2-(2-(benzyloxy)ethyl-1-¹³C)-2,5,5-trimethyl-1,3-dioxane-2-¹³C
Comments Original formula: C14[13C]2H24O3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3
InChI InChI=1S/C16H24O3/c1-15(2)12-18-16(3,19-13-15)9-10-17-11-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/i9+1,16+1
InChIKey SPAVFQIDLBGUNW-QZZXWHIHSA-N
Literature Reference DOI 10.1002/cbic.201402298
Molecular Weight 266.350 g/mol
SMILES [13CH2](COCc1ccccc1)[13C]1(OCC(C)(C)CO1)C
SPLASH splash10-000x-9510000000-a64dd268eee8741acd12
Source of Spectrum CBC-15-2379/SM10-20c
Wiley ID 1786824