| SpectraBase Spectrum ID |
JEl7lB4kVFo |
| Name |
4-(Methylthio)benzaldehyde |
| CAS Registry Number |
3446-89-7 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
152.029586051 u |
| Formula |
C8H8OS |
| InChI |
InChI=1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3 |
| InChIKey |
QRVYABWJVXXOTN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
152.211 g/mol |
| Nominal Mass |
152 u |
| Quality |
854 |
| Retention Index |
1397 |
| SMILES |
C=1(C=O)C=CC(=CC1)SC |
| SPLASH |
splash10-0udi-5900000000-c5160d4c803c2fa5a2e3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzaldehyde,4-methylthio-
4-methylthiobenzaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002416 |
