| SpectraBase Spectrum ID |
HJ35ujSEY0P |
| Name |
1-(2-Thienyl)pentan-1-one |
| CAS Registry Number |
53119-25-8 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
168.060886179 u |
| Formula |
C9H12OS |
| InChI |
InChI=1S/C9H12OS/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3 |
| InChIKey |
KJMPRCVRMAHTBR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
168.254 g/mol |
| Nominal Mass |
168 u |
| Quality |
990 |
| Retention Index |
1349 |
| SMILES |
C=1(C(CCCC)=O)SC=CC1 |
| SPLASH |
splash10-03fr-2900000000-e803327b80d61bb03902 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Pentanone,1-(2-thienyl)-
2-Pentanoylthiophene
1-(2-Thienyl)-1-pentanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018647 |
