| SpectraBase Spectrum ID |
8FXQ7Dx4mu0 |
| Name |
Rimantadine NCS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
221.123820790 u |
| Formula |
C13H19NS |
| InChI |
InChI=1S/C13H19NS/c1-9(14-8-15)13-5-10-2-11(6-13)4-12(3-10)7-13/h9-12H,2-7H2,1H3/t9?,10-,11+,12-,13- |
| InChIKey |
NPQQRDNZDAFARW-FKPXHPSNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
221.362 g/mol |
| Nominal Mass |
221 u |
| Quality |
906 |
| Retention Index |
1700 |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(N=C=S)C |
| SPLASH |
splash10-000i-1900000000-21234c0a202a8d0e3d7e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(1-isothiocyanatoethyl)tricyclo[3.3.1.1^(3,7)]decane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014109 |
