| SpectraBase Spectrum ID |
B2KnDtpI719 |
| Name |
3-Isobutyl-1-methylxanthine |
| Source of Sample |
Sigma-Aldrich Company LLC |
| Catalog Number |
I5879 |
| Lot Number |
83h0572 |
| Acronyms |
IBMX |
| CAS Registry Number |
28822-58-4 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 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 |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
597 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
[nH]1cnc2C(N(C(N(c12)CC(C)C)=O)C)=O |
| Scans Performed |
3648 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
