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3-Isobutyl-1-methylxanthine
SpectraBase Compound ID 6Z3taMePoDU
InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
InChIKey APIXJSLKIYYUKG-UHFFFAOYSA-N
Mol Weight 222.25 g/mol
Molecular Formula C10H14N4O2
Exact Mass 222.111676 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3AjzjFTFLEx
Name IBMX
Source of Sample Cayman Chemical Company
Catalog Number 13347
Lot Number 0496863-15
Apodization Function Norton-Beer, medium
CAS Registry Number 28822-58-4
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Formula C10H14N4O2
IUPAC Name 3,9-Dihydro-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione
InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
InChIKey APIXJSLKIYYUKG-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES [nH]1cnc2C(N(C(N(c12)CC(C)C)=O)C)=O
Source of Spectrum Forensic Spectral Research
Synonyms Isobutylmethylxanthin; 1-Methyl-3-isobutylxanthine; NSC 165960
Technique KBr0