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(S)-4-[(R)-(2-Chloro-phenyl)-hydroxy-methyl]-2,2-dimethyl-[1,3]dioxan-5-one

View entire compound with spectra: 1 MS (GC)

(S)-4-[(R)-(2-Chloro-phenyl)-hydroxy-methyl]-2,2-dimethyl-[1,3]dioxan-5-one
SpectraBase Compound ID 8dSA852IbtI
InChI InChI=1S/C13H15ClO4/c1-13(2)17-7-10(15)12(18-13)11(16)8-5-3-4-6-9(8)14/h3-6,11-12,16H,7H2,1-2H3/t11-,12-/m1/s1
InChIKey APGOLVVVOLZZFO-VXGBXAGGSA-N
Mol Weight 270.71 g/mol
Molecular Formula C13H15ClO4
Exact Mass 270.065887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aR13umDQTl
Name (S)-4-[(R)-(2-Chloro-phenyl)-hydroxy-methyl]-2,2-dimethyl-[1,3]dioxan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClO4
InChI InChI=1S/C13H15ClO4/c1-13(2)17-7-10(15)12(18-13)11(16)8-5-3-4-6-9(8)14/h3-6,11-12,16H,7H2,1-2H3/t11-,12-/m1/s1
InChIKey APGOLVVVOLZZFO-VXGBXAGGSA-N
Molecular Weight 270.712 g/mol
SMILES O[C@@]([C@@]1(OC(C)(C)OCC1=O)[H])(c1c(Cl)cccc1)[H]
SPLASH splash10-052f-6900000000-556f7d4ee3ea97bbf38f
Source of Spectrum F-62-334-3
Synonyms (4S)-4-[(R)-(2-chlorophenyl)(hydroxy)methyl]-2,2-dimethyl-1,3-dioxan-5-one 2,2-Dimethyl-6-[.alpha.-hydroxy-(2'-chlorobenzyl)]-1,3-dioxan-5-one isomer
Wiley ID 1631806