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[6,6,7,7-tetradeuterate]-8-Oxotridecan-4-yl acetate
SpectraBase Compound ID 42MyFvgZOaL
InChI InChI=1S/C15H28O3/c1-4-6-7-10-14(17)11-8-12-15(9-5-2)18-13(3)16/h15H,4-12H2,1-3H3/i8D2,11D2
InChIKey XOEISCQZTFVFCO-ZUPNMEAQSA-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 JTWyhWYdHGe
Name [6,6,7,7-tetradeuterate]-8-Oxotridecan-4-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24D4O3
InChI InChI=1S/C15H28O3/c1-4-6-7-10-14(17)11-8-12-15(9-5-2)18-13(3)16/h15H,4-12H2,1-3H3/i8D2,11D2
InChIKey XOEISCQZTFVFCO-ZUPNMEAQSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 260.410 g/mol
SMILES C([D])(C(CCCCC)=O)([D])C([D])([D])CC(CCC)OC(C)=O
SPLASH splash10-0006-9000000000-ffee488068cb70ab829e
Source of Spectrum CBC-12-172-[D4]_57
Synonyms 8-Oxotridecan-4-yl-6,6,7,7-d4 acetate
Wiley ID 1786718