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(2S,5.xi.)-2-(Tert-butyl)-5-cyclohexylmethyl-1,3-dioxolan-4-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S,5.xi.)-2-(Tert-butyl)-5-cyclohexylmethyl-1,3-dioxolan-4-one
SpectraBase Compound ID 8jPfVUTlQPP
InChI InChI=1S/C14H24O3/c1-14(2,3)13-16-11(12(15)17-13)9-10-7-5-4-6-8-10/h10-11,13H,4-9H2,1-3H3/t11-,13-/m0/s1
InChIKey RIXMRGCEINZRCL-AAEUAGOBSA-N
Mol Weight 240.34 g/mol
Molecular Formula C14H24O3
Exact Mass 240.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 81kJTW9P2Jm
Name (2S,5.xi.)-2-(Tert-butyl)-5-cyclohexylmethyl-1,3-dioxolan-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.172544630 u
Formula C14H24O3
InChI InChI=1S/C14H24O3/c1-14(2,3)13-16-11(12(15)17-13)9-10-7-5-4-6-8-10/h10-11,13H,4-9H2,1-3H3/t11-,13-/m0/s1
InChIKey RIXMRGCEINZRCL-AAEUAGOBSA-N
Molecular Weight 240.343 g/mol
SMILES [C@@]1(OC([C@@](O1)(CC1CCCCC1)[H])=O)(C(C)(C)C)[H]