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[4,4,5,5-tetradeuterate]-2-Hydroxydodecan-6-yl acetate
SpectraBase Compound ID 2nIy9fqbl1l
InChI InChI=1S/C14H28O3/c1-4-5-6-7-10-14(17-13(3)16)11-8-9-12(2)15/h12,14-15H,4-11H2,1-3H3/i8D2,11D2
InChIKey SIOONAGJWFNREV-ZUPNMEAQSA-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 2Xl5gn9w2W9
Name [4,4,5,5-tetradeuterate]-2-Hydroxydodecan-6-yl acetate
Alternate Name(s) 2-Hydroxydodecan-6-yl-4,4,5,5-d4 acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24D4O3
InChI InChI=1S/C14H28O3/c1-4-5-6-7-10-14(17-13(3)16)11-8-9-12(2)15/h12,14-15H,4-11H2,1-3H3/i8D2,11D2
InChIKey SIOONAGJWFNREV-ZUPNMEAQSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 248.399 g/mol
SMILES OC(C)CC([D])([D])C(C(CCCCCC)OC(C)=O)([D])[D]
SPLASH splash10-0006-9000000000-b596d6d7c168a9552785
Source of Spectrum CBC-12-168-[D4]_35
Wiley ID 1786709