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(3S,4S)-3-dodecanoyl-4,6,6-trimethyl-tetrahydropyran-2-one
SpectraBase Compound ID Hp8lo4Ak0kt
InChI InChI=1S/C20H36O3/c1-5-6-7-8-9-10-11-12-13-14-17(21)18-16(2)15-20(3,4)23-19(18)22/h16,18H,5-15H2,1-4H3/t16-,18-/m0/s1
InChIKey DLMPJBIBASXFEF-WMZOPIPTSA-N
Mol Weight 324.5 g/mol
Molecular Formula C20H36O3
Exact Mass 324.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40lLIY0DUIb
Name (3S,4S)-3-dodecanoyl-4,6,6-trimethyl-tetrahydropyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O3
InChI InChI=1S/C20H36O3/c1-5-6-7-8-9-10-11-12-13-14-17(21)18-16(2)15-20(3,4)23-19(18)22/h16,18H,5-15H2,1-4H3/t16-,18-/m0/s1
InChIKey DLMPJBIBASXFEF-WMZOPIPTSA-N
Ionization Type EI
Molecular Weight 324.505 g/mol
SMILES C1([C@@]([C@](CC(O1)(C)C)(C)[H])(C(CCCCCCCCCCC)=O)[H])=O
SPLASH splash10-001i-9000000000-99bc1caa2e720f2714d7
Source of Spectrum CN105209038B
Wiley ID 1855172