| SpectraBase Spectrum ID |
8IKafa2XjQe |
| Name |
1-Methyl-4-(methylsulfonyl)benzene |
| CAS Registry Number |
3185-99-7 |
| 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 |
170.040150734 u |
| Formula |
C8H10O2S |
| InChI |
InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3 |
| InChIKey |
YYDNBUBMBZRNQQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
170.226 g/mol |
| Nominal Mass |
170 u |
| Quality |
980 |
| Retention Index |
1176 |
| SMILES |
C=1(S(=O)(=O)C)C=CC(=CC1)C |
| SPLASH |
splash10-052f-9300000000-0d1ff0a5b1d9caa40d4c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-methyl-4-(methylsulfonyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007027 |
