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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlBw6cfTbQX
Name 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-
CAS Registry Number 28822-58-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N4O2
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
Molecular Weight 222.248 g/mol
SMILES [nH]1c2C(N(C(N(c2nc1)CC(C)C)=O)C)=O
SPLASH splash10-00xr-1900000000-c698a89917650f61de47
Synonyms Xanthine, 3-isobutyl-1-methyl- 3-Isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione 1-Methyl-3-(2-methylpropyl)-7H-purine-2,6-dione 1-Methyl-3-isobutylxanthine 3,7-Dihydro-3-isobutyl-1-methyl-1H-purine-2,6-dione 3-isobutyl-1-methyl-7H-purine-2,6-dione 3-isobutyl-1-methyl-7H-purine-2,6-quinone 3-Isobutyl-1-methylxanthine IBMX IMX Isobutylmethylxanthine Methyl-isobutylxanthine CCRIS 4290 EINECS 249-259-3 NSC 165960 SC 2964
Wiley ID 1508584