| SpectraBase Spectrum ID |
5VC2jO6NQmG |
| Name |
1-Methyl-4-methylthiobenzene |
| CAS Registry Number |
623-13-2 |
| 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 |
138.050321496 u |
| Formula |
C8H10S |
| InChI |
InChI=1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3 |
| InChIKey |
VHILIAIEEYLJNA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
138.228 g/mol |
| Nominal Mass |
138 u |
| Quality |
989 |
| Retention Index |
1169 |
| SMILES |
C1(=CC=C(C=C1)C)SC |
| SPLASH |
splash10-000l-9600000000-ec1c31e88459953e6d44 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-methyl-4-methylthiobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004845 |
