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(2R,5R,6R)-2-tert-Butyl-6-methyl-5-pentyl-1,3-dioxan-4-one
SpectraBase Compound ID BzmcmRQiTR1
InChI InChI=1S/C14H26O3/c1-6-7-8-9-11-10(2)16-13(14(3,4)5)17-12(11)15/h10-11,13H,6-9H2,1-5H3/t10-,11-,13-/m1/s1
InChIKey UZOOVVBQOYYADM-NQBHXWOUSA-N
Mol Weight 242.36 g/mol
Molecular Formula C14H26O3
Exact Mass 242.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jv2isRFAeMM
Name (2R,5R,6R)-2-tert-Butyl-6-methyl-5-pentyl-1,3-dioxan-4-one
Alternate Name(s) (2R,5R,6R)-5-amyl-2-tert-butyl-6-methyl-1,3-dioxan-4-one
CAS Registry Number 129287-74-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O3
InChI InChI=1S/C14H26O3/c1-6-7-8-9-11-10(2)16-13(14(3,4)5)17-12(11)15/h10-11,13H,6-9H2,1-5H3/t10-,11-,13-/m1/s1
InChIKey UZOOVVBQOYYADM-NQBHXWOUSA-N
Molecular Weight 242.359 g/mol
SMILES C1(O[C@](C(C)(C)C)(O[C@@]([C@]1(CCCCC)[H])(C)[H])[H])=O
SPLASH splash10-0a4i-9300000000-076e3f76acfc0d917302
Source of Spectrum K-123-2425-36
Wiley ID 1245193