| SpectraBase Spectrum ID |
CnudQkreKva |
| Name |
Sulphasomidine |
| CAS Registry Number |
515-64-0 |
| Classification |
Pharmaceutical drug, chemotherapeutic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
278.083746879 u |
| Formula |
C12H14N4O2S |
| InChI |
InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16) |
| InChIKey |
YZMCKZRAOLZXAZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
278.330 g/mol |
| Nominal Mass |
278 u |
| Quality |
995 |
| Retention Index |
2481 |
| SMILES |
C=1(S(NC=2N=C(N=C(C2)C)C)(=O)=O)C=CC(N)=CC1 |
| SPLASH |
splash10-03di-9480000000-9394fccfb1ee37ad916d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Asomidin
Sulfa-isodimerazine,Sulfa-isodimidin Sulfanilsaeure
4-Amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003975 |
