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1-n-Butyl-3,7-dimethylxanthine

View entire compound with spectra: 1 MS (GC)

1-n-Butyl-3,7-dimethylxanthine
SpectraBase Compound ID 9J7uRVl42i4
InChI InChI=1S/C11H16N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h7H,4-6H2,1-3H3
InChIKey ZCUPBJOZMPROIJ-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C11H16N4O2
Exact Mass 236.127326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpAHC61AZec
Name 1-n-Butyl-3,7-dimethylxanthine
Alternate Name(s) 1-Butyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione 1-Butyl-3,7-dimethyl-purine-2,6-dione 1-Butyl-3,7-dimethyl-xanthine
CAS Registry Number 1143-30-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16N4O2
InChI InChI=1S/C11H16N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h7H,4-6H2,1-3H3
InChIKey ZCUPBJOZMPROIJ-UHFFFAOYSA-N
Molecular Weight 236.275 g/mol
SMILES c1nc2c(C(N(C(N2C)=O)CCCC)=O)[n]1C
SPLASH splash10-001i-0930000000-cf6b73ca8b30430b5217
Source of Spectrum KO-9-106-3
Wiley ID 1237758