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(2R,1'R)-2-[1-Hydroxy-1-(4-methoxyphenyl)methyl]butanenitrile

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

(2R,1'R)-2-[1-Hydroxy-1-(4-methoxyphenyl)methyl]butanenitrile
SpectraBase Compound ID 38uyUZyvRxZ
InChI InChI=1S/C12H15NO2/c1-3-9(8-13)12(14)10-4-6-11(15-2)7-5-10/h4-7,9,12,14H,3H2,1-2H3/t9-,12-/m1/s1
InChIKey KXRJVAKQJFAGOY-BXKDBHETSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GQdnb9pI7gG
Name (2R,1'R)-2-[1-Hydroxy-1-(4-methoxyphenyl)methyl]butanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.110278725 u
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-3-9(8-13)12(14)10-4-6-11(15-2)7-5-10/h4-7,9,12,14H,3H2,1-2H3/t9-,12-/m1/s1
InChIKey KXRJVAKQJFAGOY-BXKDBHETSA-N
Molecular Weight 205.257 g/mol
SMILES C(#N)[C@]([C@](C=1C=CC(=CC1)OC)(O)[H])(CC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95198