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(4R,5S)-2,2-dimethyl-5-[(1R)-1-oxidanyl-2-phenylmethoxy-ethyl]-1,3-dioxolane-4-carbonitrile
SpectraBase Compound ID 5dCBtDkwtmW
InChI InChI=1S/C15H19NO4/c1-15(2)19-13(8-16)14(20-15)12(17)10-18-9-11-6-4-3-5-7-11/h3-7,12-14,17H,9-10H2,1-2H3/t12-,13-,14+/m1/s1
InChIKey GXSHRTRSZHPUIX-MCIONIFRSA-N
Mol Weight 277.32 g/mol
Molecular Formula C15H19NO4
Exact Mass 277.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HG3GIfy6TMf
Name (4R,5S)-2,2-dimethyl-5-[(1R)-1-oxidanyl-2-phenylmethoxy-ethyl]-1,3-dioxolane-4-carbonitrile
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Formula C15H19NO4
InChI InChI=1S/C15H19NO4/c1-15(2)19-13(8-16)14(20-15)12(17)10-18-9-11-6-4-3-5-7-11/h3-7,12-14,17H,9-10H2,1-2H3/t12-,13-,14+/m1/s1
InChIKey GXSHRTRSZHPUIX-MCIONIFRSA-N
Molecular Weight 277.320 g/mol
SMILES O[C@@]([C@]1([C@@](C#N)(OC(O1)(C)C)[H])[H])(COCc1ccccc1)[H]
SPLASH splash10-0006-9000000000-20718a73e630987c8b25
Source of Spectrum F-69-8443-35
Synonyms (4R,5S)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbonitrile (4R,5S)-5-[(1R)-2-benzoxy-1-hydroxy-ethyl]-2,2-dimethyl-1,3-dioxolane-4-carbonitrile
Wiley ID 1595855