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(4R,5S)-2,2-dimethyl-5-[(1R)-1-oxidanyl-2-phenylmethoxy-ethyl]-1,3-dioxolane-4-carbonitrile

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

(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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9dBhPlf762n
Name (4R,5S)-2,2-Dimethyl-5-[(1R)-1-oxidanyl-2-phenylmethoxy-ethyl]-1,3-dioxolane-4-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.131408092 u
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
SMILES C([C@]1(OC(O[C@]1([C@](O)(COCC=1C=CC=CC1)[H])[H])(C)C)[H])#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82582