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Di-tert-butyl 2-(4-phenylpyrimidin-2-yl)isophthalate
SpectraBase Compound ID HcB3lAkzhEK
InChI InChI=1S/C26H28N2O4/c1-25(2,3)31-23(29)18-13-10-14-19(24(30)32-26(4,5)6)21(18)22-27-16-15-20(28-22)17-11-8-7-9-12-17/h7-16H,1-6H3
InChIKey AMELUJPOITUEQA-UHFFFAOYSA-N
Mol Weight 432.52 g/mol
Molecular Formula C26H28N2O4
Exact Mass 432.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDSIwzV8Chs
Name Di-tert-butyl 2-(4-phenylpyrimidin-2-yl)isophthalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N2O4
InChI InChI=1S/C26H28N2O4/c1-25(2,3)31-23(29)18-13-10-14-19(24(30)32-26(4,5)6)21(18)22-27-16-15-20(28-22)17-11-8-7-9-12-17/h7-16H,1-6H3
InChIKey AMELUJPOITUEQA-UHFFFAOYSA-N
Molecular Weight 432.520 g/mol
SMILES c1(nc(ccn1)-c1ccccc1)-c1c(cccc1C(OC(C)(C)C)=O)C(=O)OC(C)(C)C
SPLASH splash10-001i-0192000000-77d05d66ffb801700b7c
Source of Spectrum KD-50-14129/SMS15-2j
Wiley ID 1754878