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3-HYDROXY-5-METHOXY-3-PHENYLPENTANNITRILE;DIASTEREOMER-#1

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3-HYDROXY-5-METHOXY-3-PHENYLPENTANNITRILE;DIASTEREOMER-#1
SpectraBase Compound ID 1fY7rUN5tvt
InChI InChI=1S/C13H17NO2/c1-11(10-16-2)13(15,8-9-14)12-6-4-3-5-7-12/h3-7,11,15H,8,10H2,1-2H3
InChIKey WROQNAKXTVCXKO-UHFFFAOYSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MzKlyLBs8h
Name 3-Hydroxy-5-methoxy-4-methyl-3-phenylpentanenitrile /diastereomer II
Alternate Name(s) 3-Hydroxy-5-methoxy-4-methyl-3-phenylpentanenitrile
CAS Registry Number 138902-33-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-11(10-16-2)13(15,8-9-14)12-6-4-3-5-7-12/h3-7,11,15H,8,10H2,1-2H3
InChIKey WROQNAKXTVCXKO-UHFFFAOYSA-N
Molecular Weight 219.284 g/mol
SMILES OC(C(COC)C)(c1ccccc1)CC#N
SPLASH splash10-0a4j-2900000000-414b6c3dffb4aa1d1e82
Source of Spectrum K-125-911-1
Wiley ID 1218945