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N-pentyl extract derivative of 1,7-dimethylxanthine
SpectraBase Compound ID 4WXjMmHVXkd
InChI InChI=1S/C12H18N4O2/c1-4-5-6-7-16-10-9(14(2)8-13-10)11(17)15(3)12(16)18/h8H,4-7H2,1-3H3
InChIKey VSVXMSHTTHIQJX-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C12H18N4O2
Exact Mass 250.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXvVj4Kfbbp
Name N-pentyl extract derivative of 1,7-dimethylxanthine
Alternate Name(s) 1,7-Dimethyl-3-pentyl-3,7-dihydro-1H-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N4O2
InChI InChI=1S/C12H18N4O2/c1-4-5-6-7-16-10-9(14(2)8-13-10)11(17)15(3)12(16)18/h8H,4-7H2,1-3H3
InChIKey VSVXMSHTTHIQJX-UHFFFAOYSA-N
Molecular Weight 250.302 g/mol
SMILES c12c(C(=O)N(C(N2CCCCC)=O)C)[n](C)cn1
SPLASH splash10-053s-9600000000-dbecc542b2e1183fb03b
Source of Spectrum KO-7-192-7
Wiley ID 1253002