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[5,5,6,6-tetradeuterate]-7-Hydroxydodecan-3-yl acetate
SpectraBase Compound ID KHvYvVDVew0
InChI InChI=1S/C14H28O3/c1-4-6-7-9-13(16)10-8-11-14(5-2)17-12(3)15/h13-14,16H,4-11H2,1-3H3/i8D2,10D2
InChIKey OYPCNIMUTIBMTQ-AKGZQNITSA-N
Mol Weight 248.4 g/mol
Molecular Formula C14H24D4O3
Exact Mass 248.228952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6n5PiaYSIs
Name [5,5,6,6-tetradeuterate]-7-Hydroxydodecan-3-yl acetate
Alternate Name(s) 7-Hydroxydodecan-3-yl-5,5,6,6-d4 acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24D4O3
InChI InChI=1S/C14H28O3/c1-4-6-7-9-13(16)10-8-11-14(5-2)17-12(3)15/h13-14,16H,4-11H2,1-3H3/i8D2,10D2
InChIKey OYPCNIMUTIBMTQ-AKGZQNITSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 248.399 g/mol
SMILES OC(C(C([D])([D])CC(CC)OC(C)=O)([D])[D])CCCCC
SPLASH splash10-0006-9000000000-8b478f571479ca07e213
Source of Spectrum CBC-12-171-[D4]_54
Wiley ID 1786715