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[4,4-dideuterate]-6-heptyl-2-methyl-3,4-dihydro-2H-pyran
SpectraBase Compound ID 7B6PFRLxCr9
InChI InChI=1S/C13H24O/c1-3-4-5-6-7-10-13-11-8-9-12(2)14-13/h11-12H,3-10H2,1-2H3/i8D2
InChIKey INSLVJOJDBKFHU-MGVXTIMCSA-N
Mol Weight 198.35 g/mol
Molecular Formula C13H22D2O
Exact Mass 198.195269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nHxHw53Zo2
Name [4,4-dideuterate]-6-heptyl-2-methyl-3,4-dihydro-2H-pyran
Alternate Name(s) 6-Heptyl-2-methyl-3,4-dihydro-2H-pyran-4,4-d2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22D2O
InChI InChI=1S/C13H24O/c1-3-4-5-6-7-10-13-11-8-9-12(2)14-13/h11-12H,3-10H2,1-2H3/i8D2
InChIKey INSLVJOJDBKFHU-MGVXTIMCSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 198.346 g/mol
SMILES C1([D])([D])CC(OC(=C1)CCCCCCC)C
SPLASH splash10-052f-9200000000-81736a3766604d07c683
Source of Spectrum CBC-12-168-[D2]_28
Wiley ID 1786694