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3-Propylxanthine
SpectraBase Compound ID 1hFN9ng9KAw
InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
InChIKey SIQPXVQCUCHWDI-UHFFFAOYSA-N
Mol Weight 194.19 g/mol
Molecular Formula C8H10N4O2
Exact Mass 194.080376 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DjCbwjMbwYC
Name 3-Propylxanthine
Source of Sample Cayman Chemical Company
Catalog Number 21746
Lot Number 0502054-1
CAS Registry Number 41078-02-8
Cell Type Capillary tube
Compound Type Pure
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Formula C8H10N4O2
IUPAC Name 3,9-Dihydro-3-propyl-1H-purine-2,6-dione
InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
InChIKey SIQPXVQCUCHWDI-UHFFFAOYSA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 1002 mW
Raman Laser Source Nd:YAG
SMILES N1C(c2nc[nH]c2N(C1=O)CCC)=O
Scans Performed 1344
Source of Spectrum Forensic Spectral Research
Synonyms D 4026; Enprofylline
Technique FT-Raman