| SpectraBase Spectrum ID |
8sqE0lWxjdT |
| Name |
Caffeine |
| Source of Sample |
SAFC Cat.no. W222402 |
| CAS Registry Number |
58-08-2 |
| Comments |
Generally Recognized as Safe; NTIS Accession Number: PB283441 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
194.080375576 u |
| Formula |
C8H10N4O2 |
| InChI |
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
| InChIKey |
RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Molecular Weight |
194.194 g/mol |
| Number of Peaks |
50 |
| RI1 |
1837 |
| RI2 |
1514 |
| SMILES |
C1(=O)N(C)c2c([n](C)cn2)C(N1C)=O |
| SPLASH |
splash10-052f-6900000000-f1590b1005787cc2ab23 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl- |
| Wiley ID |
LM_FFNSC3_915 |
