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8-(2'-Methylpiperidino)caffeine
SpectraBase Compound ID DSHl5TOawLV
InChI InChI=1S/C14H21N5O2/c1-9-7-5-6-8-19(9)13-15-11-10(16(13)2)12(20)18(4)14(21)17(11)3/h9H,5-8H2,1-4H3
InChIKey JPDJSVDLRPEPLP-UHFFFAOYSA-N
Mol Weight 291.36 g/mol
Molecular Formula C14H21N5O2
Exact Mass 291.169525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPrTB8APbr5
Name 8-(2'-Methylpiperidino)caffeine
Alternate Name(s) 1,3,7-trimethyl-8-(2-methyl-1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21N5O2
InChI InChI=1S/C14H21N5O2/c1-9-7-5-6-8-19(9)13-15-11-10(16(13)2)12(20)18(4)14(21)17(11)3/h9H,5-8H2,1-4H3
InChIKey JPDJSVDLRPEPLP-UHFFFAOYSA-N
Molecular Weight 291.355 g/mol
SMILES c12c([n](C)c(n2)N2C(C)CCCC2)C(=O)N(C(N1C)=O)C
SPLASH splash10-0006-0090000000-5d74ab146af9e8ca73b4
Source of Spectrum U1-1999-2424-3
Wiley ID 753720