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3-Benzyl-2-hydroxy-4-phenylbutyronitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

3-Benzyl-2-hydroxy-4-phenylbutyronitrile
SpectraBase Compound ID 1egeU5pfVre
InChI InChI=1S/C17H17NO/c18-13-17(19)16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16-17,19H,11-12H2
InChIKey XHUFVKMRQJRYPO-UHFFFAOYSA-N
Mol Weight 251.33 g/mol
Molecular Formula C17H17NO
Exact Mass 251.131014 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KAdhujeoVif
Name 3-Benzyl-2-hydroxy-4-phenylbutyronitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.131014170 u
Formula C17H17NO
InChI InChI=1S/C17H17NO/c18-13-17(19)16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,16-17,19H,11-12H2
InChIKey XHUFVKMRQJRYPO-UHFFFAOYSA-N
Molecular Weight 251.329 g/mol
SMILES OC(C(CC=1C=CC=CC1)CC=1C=CC=CC1)C#N
Spectrum/Structure Validation Score (Raman) 0.996487