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(4S,5S)-5-[(R)-1-Hydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbonitrile
SpectraBase Compound ID E4DnXElwrhF
InChI InChI=1S/C8H13NO3/c1-5(10)7-6(4-9)11-8(2,3)12-7/h5-7,10H,1-3H3/t5-,6+,7+/m1/s1
InChIKey ITKIMSUIUCFRIF-VQVTYTSYSA-N
Mol Weight 171.2 g/mol
Molecular Formula C8H13NO3
Exact Mass 171.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58msN5XF82y
Name (4S,5S)-5-[(R)-1-Hydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO3
InChI InChI=1S/C8H13NO3/c1-5(10)7-6(4-9)11-8(2,3)12-7/h5-7,10H,1-3H3/t5-,6+,7+/m1/s1
InChIKey ITKIMSUIUCFRIF-VQVTYTSYSA-N
Molecular Weight 171.196 g/mol
SMILES O[C@@]([C@]1([C@@](OC(C)(C)O1)(C#N)[H])[H])(C)[H]
SPLASH splash10-052f-9600000000-b395b8dd75e5c1e5ab96
Source of Spectrum U1-2010-4472-13
Wiley ID 1664268