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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQmh2sBKyvy
Name 3-HYDROXY-5-METHOXY-3-PHENYLPENTANNITRILE;DIASTEREOMER-#2
CAS Registry Number 138902-33-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author T.KAUFFMANN,H.KIEPER
Literature Reference Citation CHEM.BER.,125,907(1992)
Literature Reference DOI 10.1002/cber.19921250423
Molecular Weight 219.283 g/mol
Solvent CDCl3
Source File Reference UWCS7461