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(1S,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-ethane-1,2-diol
SpectraBase Compound ID J7d8PCMAZab
InChI InChI=1S/C13H18O4/c1-13(2)16-8-10(17-13)12(15)11(14)9-6-4-3-5-7-9/h3-7,10-12,14-15H,8H2,1-2H3/t10-,11+,12-/m1/s1
InChIKey BSDYAAXLNGTURD-GRYCIOLGSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Oy4QScqf6S
Name (1S,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-ethane-1,2-diol
Appearance Colorless powder
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.120509056 u
Formula C13H18O4
GC Oven Program Oven temp 280oC
InChI InChI=1S/C13H18O4/c1-13(2)16-8-10(17-13)12(15)11(14)9-6-4-3-5-7-9/h3-7,10-12,14-15H,8H2,1-2H3/t10-,11+,12-/m1/s1
InChIKey BSDYAAXLNGTURD-GRYCIOLGSA-N
Inlet Type Split
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800980
Molecular Weight 238.283 g/mol
Quality 248
SMILES O[C@]([C@@]([C@@]1(OC(OC1)(C)C)[H])(O)[H])(C=1C=CC=CC1)[H]
SPLASH splash10-0006-4910000000-7a09caf66917a07addfc
Sample Comments dr = 90:10 (anti/syn)
Source of Spectrum K1-2018-6467-5 (DOI: 10.1002/ejoc.201800980)
Wiley ID 1896951