| SpectraBase Spectrum ID |
8J9MlRU2Xom |
| Name |
N-(4-(2-Aminoethyl)phenyl)-2,4-dinitroaniline isothiocyanate |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
344.057926052 u |
| Formula |
C15H12N4O4S |
| InChI |
InChI=1S/C15H12N4O4S/c20-18(21)13-5-6-14(15(9-13)19(22)23)17-12-3-1-11(2-4-12)7-8-16-10-24/h1-6,9,17H,7-8H2 |
| InChIKey |
DRGSLRLQIHJECG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
344.345 g/mol |
| Nominal Mass |
344 u |
| Quality |
923 |
| Retention Index |
2777 |
| SMILES |
C=1(C(=CC(=CC1)[N+](=O)[O-])[N+](=O)[O-])NC=1C=CC(=CC1)CCN=C=S |
| SPLASH |
splash10-00fr-2970000000-d132dc2538b46431a241 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(4-(2-isothiocyanatoethyl)phenyl)-2,4-dinitroaniline |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015219 |
