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7-(4-tert-Butylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID A3B3BJ2LDJt
InChI InChI=1S/C18H22N4O2/c1-18(2,3)13-8-6-12(7-9-13)10-22-11-19-15-14(22)16(23)21(5)17(24)20(15)4/h6-9,11H,10H2,1-5H3
InChIKey ZFZAIHKQJBMYLO-UHFFFAOYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C18H22N4O2
Exact Mass 326.174276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67L0DyF97Ks
Name 7-(4-tert-Butylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-tert-butylbenzyl)-1,3-dimethyl- 7-(4-tert-butylbenzyl)-1,3-dimethyl-xanthine 7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione
CAS Registry Number 333415-38-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N4O2
InChI InChI=1S/C18H22N4O2/c1-18(2,3)13-8-6-12(7-9-13)10-22-11-19-15-14(22)16(23)21(5)17(24)20(15)4/h6-9,11H,10H2,1-5H3
InChIKey ZFZAIHKQJBMYLO-UHFFFAOYSA-N
Molecular Weight 326.400 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](Cc2ccc(C(C)(C)C)cc2)cn1
SPLASH splash10-0002-2900000000-7e827da1ee2901fd9eba
Wiley ID 1455434