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ethyl 2-(4-(tert-butyl)phenyl)pyrimidine-5-carboxylate
SpectraBase Compound ID 5FlZX7mWR18
InChI InChI=1S/C17H20N2O2/c1-5-21-16(20)13-10-18-15(19-11-13)12-6-8-14(9-7-12)17(2,3)4/h6-11H,5H2,1-4H3
InChIKey VLPSPIOQJKKKHR-UHFFFAOYSA-N
Mol Weight 284.36 g/mol
Molecular Formula C17H20N2O2
Exact Mass 284.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79IMyTmPkYx
Name ethyl 2-(4-(tert-butyl)phenyl)pyrimidine-5-carboxylate
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O2
InChI InChI=1S/C17H20N2O2/c1-5-21-16(20)13-10-18-15(19-11-13)12-6-8-14(9-7-12)17(2,3)4/h6-11H,5H2,1-4H3
InChIKey VLPSPIOQJKKKHR-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202210491
Reported Formula C17H20N2O2
SMILES C(C)OC(=O)C=1C=NC(=NC1)C1=CC=C(C=C1)C(C)(C)C
SPLASH splash10-014i-0090000000-5beebab1bd3429809881
Source of Spectrum ACI-61-SM64-7m (DOI: 10.1002/anie.202210491)
Wiley ID 1899497