| SpectraBase Spectrum ID |
BUEztVZ84qG |
| Name |
4-(Methylthio)benzonitrile |
| CAS Registry Number |
21382-98-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
149.029920403 u |
| Formula |
C8H7NS |
| InChI |
InChI=1S/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3 |
| InChIKey |
RPVGEEHGKIFQFO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
149.211 g/mol |
| Nominal Mass |
149 u |
| Quality |
983 |
| Retention Index |
1416 |
| SMILES |
C1(=CC=C(C=C1)SC)C#N |
| SPLASH |
splash10-0002-8900000000-ba0f0176c76f3ee44f59 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methylthiobenzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004456 |
