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[2-(13)C]-2-(2-(Benzyloxy)ethyl)-2,5,5-trimethyl-1,3-dioxane
SpectraBase Compound ID yILQouyDkN
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/i16+1
InChIKey SPAVFQIDLBGUNW-LOYIAQTISA-N
Mol Weight 265.36 g/mol
Molecular Formula C1513CH24O3
Exact Mass 265.175899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNc6XiBs9I8
Name [2-(13)C]-2-(2-(Benzyloxy)ethyl)-2,5,5-trimethyl-1,3-dioxane
Alternate Name(s) 2-(2-(benzyloxy)ethyl)-2,5,5-trimethyl-1,3-dioxane-2-¹³C
Comments Original formula: C15[13C]H24O3
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/i16+1
InChIKey SPAVFQIDLBGUNW-LOYIAQTISA-N
Literature Reference DOI 10.1002/cbic.201402298
Molecular Weight 265.357 g/mol
SMILES CC1(C)CO[13C](OC1)(C)CCOCc1ccccc1
SPLASH splash10-0006-9300000000-806dd0f54809abd7457e
Source of Spectrum CBC-15-2379/SM9-20a
Wiley ID 1786822