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(2S,3R)-2-decyl-3-(1,1,2,2-tetradeuterio-5-methyl-hexyl)(18O)oxirane
SpectraBase Compound ID HSICZLP14xw
InChI InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m0/s1/i13D2,16D2,20+2
InChIKey HFOFYNMWYRXIBP-BIJMGMDNSA-N
Mol Weight 288.5 g/mol
Molecular Formula C19H34D418O
Exact Mass 288.321618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Vm1Yj11Toj
Name (2S,3R)-2-decyl-3-(1,1,2,2-tetradeuterio-5-methyl-hexyl)(18O)oxirane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.321617820 u
Formula C19H34D4[18O]
GC Oven Program Oven temp 200oC
InChI InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m0/s1/i13D2,16D2,20+2
InChIKey HFOFYNMWYRXIBP-BIJMGMDNSA-N
Inlet Type Split
Instrument Name Varian CP-3800
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/ejoc.201901164
Molecular Weight 288.537 g/mol
Quality 886
SMILES [C@]1(C(C(CCC(C)C)([D])[D])([D])[D])([C@](CCCCCCCCCC)([18O]1)[H])[H]
SPLASH splash10-05ai-9400000000-a4311c4f7a744ca19b82
Source of Spectrum K1-2019-SM59-59-1 (DOI: 10.1002/ejoc.201901164)
Wiley ID 1892266