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(S)-4-(4-Methylbenzyloxy)-3-hydroxybutanenitrile
SpectraBase Compound ID JQxxGfxUQXP
InChI InChI=1S/C12H15NO2/c1-10-2-4-11(5-3-10)8-15-9-12(14)6-7-13/h2-5,12,14H,6,8-9H2,1H3/t12-/m0/s1
InChIKey BYFNKXKGWNBNCK-LBPRGKRZSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dFXUm9MWFU
Name (S)-4-(4-Methylbenzyloxy)-3-hydroxybutanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-10-2-4-11(5-3-10)8-15-9-12(14)6-7-13/h2-5,12,14H,6,8-9H2,1H3/t12-/m0/s1
InChIKey BYFNKXKGWNBNCK-LBPRGKRZSA-N
Molecular Weight 205.257 g/mol
SMILES O[C@@](CC#N)(COCc1ccc(cc1)C)[H]
SPLASH splash10-0a4i-0900000000-8e67ccfaeb4d7da5cee0
Source of Spectrum QC-17-2911-1
Synonyms (3S)-3-hydroxy-4-[(4-methylbenzyl)oxy]butanenitrile (3S)-3-hydroxy-4-[(4-methylphenyl)methoxy]butanenitrile (3S)-3-hydroxy-4-(p-tolylmethoxy)butanenitrile (3S)-4-[(4-methylphenyl)methoxy]-3-oxidanyl-butanenitrile
Wiley ID 1638580