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2-Oxazolepropanenitrile, .alpha.-(1,1-dimethylethyl)-.beta.-oxo-5-phenyl-, (.+-.)-
SpectraBase Compound ID 7cRZhL3UdHb
InChI InChI=1S/C16H16N2O2/c1-16(2,3)12(9-17)14(19)15-18-10-13(20-15)11-7-5-4-6-8-11/h4-8,10,12H,1-3H3
InChIKey WAHQUQAREDDCAI-UHFFFAOYSA-N
Mol Weight 268.32 g/mol
Molecular Formula C16H16N2O2
Exact Mass 268.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaLbLmu1Eml
Name 2-Oxazolepropanenitrile, .alpha.-(1,1-dimethylethyl)-.beta.-oxo-5-phenyl-, (.+-.)-
CAS Registry Number 108665-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O2
InChI InChI=1S/C16H16N2O2/c1-16(2,3)12(9-17)14(19)15-18-10-13(20-15)11-7-5-4-6-8-11/h4-8,10,12H,1-3H3
InChIKey WAHQUQAREDDCAI-UHFFFAOYSA-N
Molecular Weight 268.316 g/mol
SMILES c1(ncc(o1)-c1ccccc1)C(C(C#N)C(C)(C)C)=O
SPLASH splash10-044i-1890000000-ad48c69886ed522ad66d
Source of Spectrum J-52-3420-21
Synonyms 3,3-Dimethyl-2-[(5-phenyl-1,3-oxazol-2-yl)carbonyl]butanenitrile
Wiley ID 1272357