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3-HYDROXY-5-METHOXY-2,2,4-TRIMETHYL-3-PHENYLPENTANNITRILE;DIASTEREOMER-#1
SpectraBase Compound ID KeT4DgFzHJn
InChI InChI=1S/C15H21NO2/c1-12(10-18-4)15(17,14(2,3)11-16)13-8-6-5-7-9-13/h5-9,12,17H,10H2,1-4H3
InChIKey QVJQCIRXDPQLTF-UHFFFAOYSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fQydKlxA10
Name 3-Hydroxy-5-methoxy-2,2,4-trimethyl-3-phenylpentanenitrile /diastereomer II
CAS Registry Number 138902-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-12(10-18-4)15(17,14(2,3)11-16)13-8-6-5-7-9-13/h5-9,12,17H,10H2,1-4H3
InChIKey QVJQCIRXDPQLTF-UHFFFAOYSA-N
Molecular Weight 247.338 g/mol
SMILES OC(C(C#N)(C)C)(C(COC)C)c1ccccc1
SPLASH splash10-0a6r-1900000000-947efdf60bfab3f9e8a2
Source of Spectrum K-125-911-1
Synonyms 3-Hydroxy-5-methoxy-2,2,4-trimethyl-3-phenylpentanenitrile
Wiley ID 1250175