| SpectraBase Spectrum ID |
I6UGrCydJRv |
| Name |
SIMETRYN |
| CAS Registry Number |
1014-70-6 |
| 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 |
213.104816677 u |
| Formula |
C8H15N5S |
| InChI |
InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13) |
| InChIKey |
MGLWZSOBALDPEK-UHFFFAOYSA-N |
| Molecular Weight |
213.303 g/mol |
| Nominal Mass |
213 u |
| Number of Peaks |
66 |
| SMILES |
N(c1nc(nc(n1)SC)NCC)CC |
| SPLASH |
splash10-03di-5960000000-f9276ca45153b9e7147b |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
N-ethyl-N-[4-(ethylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]amine
N~2~,N~4~-diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_4223 |
