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(R)-2-(3,4-dimethylphenyl)-4-oxo-4-phenylbutanenitrile
SpectraBase Compound ID KlBTT7CQvtQ
InChI InChI=1S/C18H17NO/c1-13-8-9-16(10-14(13)2)17(12-19)11-18(20)15-6-4-3-5-7-15/h3-10,17H,11H2,1-2H3/t17-/m0/s1
InChIKey OBIOHFDICUBMEU-KRWDZBQOSA-N
Mol Weight 263.34 g/mol
Molecular Formula C18H17NO
Exact Mass 263.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Ge1SIrrSi
Name (R)-2-(3,4-dimethylphenyl)-4-oxo-4-phenylbutanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO
InChI InChI=1S/C18H17NO/c1-13-8-9-16(10-14(13)2)17(12-19)11-18(20)15-6-4-3-5-7-15/h3-10,17H,11H2,1-2H3/t17-/m0/s1
InChIKey OBIOHFDICUBMEU-KRWDZBQOSA-N
Literature Reference DOI 10.1039/c4gc00386a
Molecular Weight 263.340 g/mol
SMILES [C@](CC(=O)c1ccccc1)(c1cc(c(cc1)C)C)(C#N)[H]
SPLASH splash10-0a6r-4910000000-abc578383cb3e0f1609b
Source of Spectrum GCH-16-3454/SM3-2c
Wiley ID 1755378