| SpectraBase Spectrum ID |
3LrBmfsV9s |
| Name |
4-(Methylthio)benzylalcohol |
| CAS Registry Number |
3446-90-0 |
| Classification |
Designer drug side product |
| 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 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
154.045236115 u |
| Formula |
C8H10OS |
| InChI |
InChI=1S/C8H10OS/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3 |
| InChIKey |
MTXQKSQYMREAGJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
154.227 g/mol |
| Nominal Mass |
154 u |
| Quality |
992 |
| Retention Index |
1467 |
| SMILES |
OCC1=CC=C(C=C1)SC |
| SPLASH |
splash10-0kdi-9800000000-d634d1957220b4010ba8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methylthiophenylmethanol
p-(Methylthio)benzylalcohol
(4-methylthiophenyl)methanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004473 |
