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3-Benzyl-6-tert-butyl-1-phenylpyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 4zZvUebaOhb
InChI InChI=1S/C21H22N2O2/c1-21(2,3)18-14-19(24)22(15-16-10-6-4-7-11-16)20(25)23(18)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3
InChIKey PVGWXTSJVFXPPK-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C21H22N2O2
Exact Mass 334.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9R35nT5moXJ
Name 3-Benzyl-6-tert-butyl-1-phenylpyrimidine-2,4(1H,3H)-dione
Alternate Name(s) 3-Benzyl-6-(tert-butyl)-1-phenylpyrimidine-2,4(1H,3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O2
InChI InChI=1S/C21H22N2O2/c1-21(2,3)18-14-19(24)22(15-16-10-6-4-7-11-16)20(25)23(18)17-12-8-5-9-13-17/h4-14H,15H2,1-3H3
InChIKey PVGWXTSJVFXPPK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b01270
Molecular Weight 334.419 g/mol
SMILES C1(N(C(C=C(N1c1ccccc1)C(C)(C)C)=O)Cc1ccccc1)=O
SPLASH splash10-001u-1906000000-02fbc5c4f2d902890e18
Source of Spectrum J-80-8196-3g
Wiley ID 1801614