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3,7-Dihydro-1,3,7-trimethyl-8-(9-phenanthryl)-1H-purin-2,6-dion
SpectraBase Compound ID 7w1CQ6HrvcZ
InChI InChI=1S/C22H18N4O2/c1-24-18-20(25(2)22(28)26(3)21(18)27)23-19(24)17-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)17/h4-12H,1-3H3
InChIKey ARJSOPFZADTDPU-UHFFFAOYSA-N
Mol Weight 370.41 g/mol
Molecular Formula C22H18N4O2
Exact Mass 370.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6Sv7boC0ZL
Name 3,7-Dihydro-1,3,7-trimethyl-8-(9-phenanthryl)-1H-purin-2,6-dion
Alternate Name(s) 1,3,7-trimethyl-8-(9-phenanthryl)-3,7-dihydro-1H-purine-2,6-dione
CAS Registry Number 99765-06-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N4O2
InChI InChI=1S/C22H18N4O2/c1-24-18-20(25(2)22(28)26(3)21(18)27)23-19(24)17-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)17/h4-12H,1-3H3
InChIKey ARJSOPFZADTDPU-UHFFFAOYSA-N
Molecular Weight 370.412 g/mol
SMILES c12c(N(C)C(N(C2=O)C)=O)nc([n]1C)-c1c2c(cccc2)c2c(c1)cccc2
SPLASH splash10-00xr-0009000000-cde8d1037648b8908f8e
Source of Spectrum K-119-1535-8
Wiley ID 1354425