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8-(diamylamino)-1,3,7-trimethyl-xanthine
SpectraBase Compound ID 3dnC31wS5JK
InChI InChI=1S/C18H31N5O2/c1-6-8-10-12-23(13-11-9-7-2)17-19-15-14(20(17)3)16(24)22(5)18(25)21(15)4/h6-13H2,1-5H3
InChIKey CVCJSDMRNBQNNI-UHFFFAOYSA-N
Mol Weight 349.48 g/mol
Molecular Formula C18H31N5O2
Exact Mass 349.247775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Z5RZsERyZg
Name 8-(diamylamino)-1,3,7-trimethyl-xanthine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31N5O2
InChI InChI=1S/C18H31N5O2/c1-6-8-10-12-23(13-11-9-7-2)17-19-15-14(20(17)3)16(24)22(5)18(25)21(15)4/h6-13H2,1-5H3
InChIKey CVCJSDMRNBQNNI-UHFFFAOYSA-N
Molecular Weight 349.479 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)N(CCCCC)CCCCC
SPLASH splash10-000b-0079000000-293fdcff515c3465a21e
Source of Spectrum U1-1999-2424-3
Synonyms 8-(dipentylamino)-1,3,7-trimethyl-purine-2,6-dione
Wiley ID 753718