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Methyl 3-cyano-4-(diisopropylcarbamoyl)benzoate

View entire compound with spectra: 1 MS (GC)

Methyl 3-cyano-4-(diisopropylcarbamoyl)benzoate
SpectraBase Compound ID 4dxzOZDkjIQ
InChI InChI=1S/C16H20N2O3/c1-10(2)18(11(3)4)15(19)14-7-6-12(16(20)21-5)8-13(14)9-17/h6-8,10-11H,1-5H3
InChIKey CXTMFFGOBYPECA-UHFFFAOYSA-N
Mol Weight 288.35 g/mol
Molecular Formula C16H20N2O3
Exact Mass 288.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5HcwEazowF
Name Methyl 3-cyano-4-(diisopropylcarbamoyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O3
InChI InChI=1S/C16H20N2O3/c1-10(2)18(11(3)4)15(19)14-7-6-12(16(20)21-5)8-13(14)9-17/h6-8,10-11H,1-5H3
InChIKey CXTMFFGOBYPECA-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c3cc49502g
Molecular Weight 288.347 g/mol
SMILES c1cc(C(N(C(C)C)C(C)C)=O)c(cc1C(OC)=O)C#N
SPLASH splash10-000j-0790000000-04a3a55a245203fe9e3a
Source of Spectrum KD-50-1878/SMS8-3i
Wiley ID 1754367