| SpectraBase Spectrum ID |
6xpgYOPn4HG |
| Name |
3-Methylxanthine |
| Source of Sample |
Sigma-Aldrich Inc. |
| Catalog Number |
222526 |
| Lot Number |
2028AH |
| CAS Registry Number |
1076-22-8 |
| Compound Type |
Pure |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H28O |
| InChI |
InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) |
| InChIKey |
GMSNIKWWOQHZGF-UHFFFAOYSA-N |
| Raman Corrections |
Referenced to internal white light source; 180 Degree backscatter |
| Raman Laser Source |
Nd: YAG |
| Raman Laser Wavelength |
1064 |
| Sadtler IR Number |
DW0623 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
