| SpectraBase Spectrum ID |
JHSbVXOgR5E |
| Name |
Thioaniline |
| CAS Registry Number |
139-65-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
216.072119568 u |
| Formula |
C12H12N2S |
| InChI |
InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2 |
| InChIKey |
ICNFHJVPAJKPHW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
216.302 g/mol |
| Nominal Mass |
216 u |
| Quality |
979 |
| Retention Index |
1709 |
| SMILES |
NC=1C=CC(SC=2C=CC(=CC2)N)=CC1 |
| SPLASH |
splash10-014i-3980000000-b50eb0fa5d9bac4518f3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzenamine,4,4'-thiobis-
Benzenamine,4,4'-thiobis[N,N-bis(4-methylphenyl)] |
| Technique |
GC/MS |
| Wiley ID |
DD2024_029175 |
