| SpectraBase Spectrum ID |
398L8iGajrc |
| Name |
1,7-Diethyl-3-methylxanthine |
| Comments |
(unverified) |
| Copyright |
Copyright © 2012-2025 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula |
C12H22N4O2 |
| InChI |
InChI=1S/C8H10N4O2.2C2H6/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;2*1-2/h4H,1-3H3;2*1-2H3 |
| InChIKey |
GNOVQTIECJMUHB-UHFFFAOYSA-N |
| SMILES |
CC.c1[n](c2C(N(C(N(c2n1)C)=O)C)=O)C.CC |
| SPLASH |
splash10-014m-7900000000-df3db5722f9197801f3a |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
