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6-[2-(1-adamantyloxy)ethyl]-2,4,7-trimethyl-purino[7,8-a]imidazole-1,3-dione
SpectraBase Compound ID Go0EL7nMUlr
InChI InChI=1S/C22H29N5O3/c1-13-12-27-17-18(24(2)21(29)25(3)19(17)28)23-20(27)26(13)4-5-30-22-9-14-6-15(10-22)8-16(7-14)11-22/h12,14-16H,4-11H2,1-3H3
InChIKey QJGZDDGTYWQFBS-UHFFFAOYSA-N
Mol Weight 411.51 g/mol
Molecular Formula C22H29N5O3
Exact Mass 411.22704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AlpieaqeY0V
Name 6-[2-(1-adamantyloxy)ethyl]-2,4,7-trimethyl-purino[7,8-a]imidazole-1,3-dione
Alternate Name(s) 6-[2-(1-adamantyloxy)ethyl]-2,4,7-trimethyl-purin[7,8-a]imidazole-1,3-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29N5O3
InChI InChI=1S/C22H29N5O3/c1-13-12-27-17-18(24(2)21(29)25(3)19(17)28)23-20(27)26(13)4-5-30-22-9-14-6-15(10-22)8-16(7-14)11-22/h12,14-16H,4-11H2,1-3H3
InChIKey QJGZDDGTYWQFBS-UHFFFAOYSA-N
Molecular Weight 411.506 g/mol
SMILES c12c(nc3[n]2C=C(C)N3CCOC23CC4CC(C3)CC(C2)C4)N(C)C(N(C1=O)C)=O
SPLASH splash10-01q3-9840300000-053bdc069f191a5dc281
Wiley ID 1443596