For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EXbN1tckA2C
Name 3-Isobutyl-1-methylxanthine
Source of Sample Sigma-Aldrich Company LLC
Catalog Number I5879
Lot Number 83H0572
Accessory DurasamplIR II
Acronyms IBMX
Apodization Function Triangular
CAS Registry Number 28822-58-4
Copyright Copyright © 2019-2024 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
Instrument Name Bio-Rad FTS
SMILES C1(N(C(c2c(N1CC(C)C)nc[nH]2)=O)C)=O
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat