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[4,4,5,5-tetradeuterate]-2-Oxotridecan-6-yl acetate
SpectraBase Compound ID 4e24NnoYzMt
InChI InChI=1S/C15H28O3/c1-4-5-6-7-8-11-15(18-14(3)17)12-9-10-13(2)16/h15H,4-12H2,1-3H3/i9D2,12D2
InChIKey PUJAHFDCLHXHES-ZXSHKXLLSA-N
Mol Weight 260.41 g/mol
Molecular Formula C15H24D4O3
Exact Mass 260.228952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKZSNjiQzK8
Name [4,4,5,5-tetradeuterate]-2-Oxotridecan-6-yl acetate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24D4O3
InChI InChI=1S/C15H28O3/c1-4-5-6-7-8-11-15(18-14(3)17)12-9-10-13(2)16/h15H,4-12H2,1-3H3/i9D2,12D2
InChIKey PUJAHFDCLHXHES-ZXSHKXLLSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 260.410 g/mol
SMILES C([D])([D])(C([D])([D])CC(=O)C)C(CCCCCCC)OC(C)=O
SPLASH splash10-0006-9000000000-f25a365051b2732a61ce
Source of Spectrum CBC-12-169-[D4]_38
Synonyms 2-Oxotridecan-6-yl-4,4,5,5-d4 acetate
Wiley ID 1786711