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Heteroxanthine, 1,3-diethyl-

View entire compound with spectra: 3 MS (GC)

Heteroxanthine, 1,3-diethyl-
SpectraBase Compound ID LLxv8fNNGPV
InChI InChI=1S/C10H14N4O2/c1-4-13-8-7(12(3)6-11-8)9(15)14(5-2)10(13)16/h6H,4-5H2,1-3H3
InChIKey WGMHUEQTUNLCNK-UHFFFAOYSA-N
Mol Weight 222.25 g/mol
Molecular Formula C10H14N4O2
Exact Mass 222.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID U1OkyfGLWH
Name Heteroxanthine, 1,3-diethyl-
Alternate Name(s) 1,3-Diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione 1,3-Diethyl-7-methyl-purine-2,6-dione 1,3-Diethyl-7-methyl-xanthine
CAS Registry Number 31617-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N4O2
InChI InChI=1S/C10H14N4O2/c1-4-13-8-7(12(3)6-11-8)9(15)14(5-2)10(13)16/h6H,4-5H2,1-3H3
InChIKey WGMHUEQTUNLCNK-UHFFFAOYSA-N
Molecular Weight 222.248 g/mol
SMILES C1(N(C(c2[n](cnc2N1CC)C)=O)CC)=O
SPLASH splash10-014m-7900000000-10a89936c7cf8154b7fc
Wiley ID 1508449