| SpectraBase Spectrum ID |
IuxuLJkeSRb |
| Name |
Simetryn |
| Carrier Gas |
Helium (20 psi) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
213.104816677 u |
| Formula |
C8H15N5S |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 280oC |
| 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 |
| Instrument Name |
Agilent 6890-5973N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jssc.200500250 |
| Molecular Weight |
213.303 g/mol |
| Quality |
27 |
| SMILES |
N(CC)C1=NC(=NC(=N1)SC)NCC |
| SPLASH |
splash10-03di-0490000000-d6dbddd1561825ae8a03 |
| Source of Spectrum |
SEP-29-2334-Simetryn (DOI: 10.1002/jssc.200500250) |
| Wiley ID |
1906180 |
