| SpectraBase Spectrum ID |
DoTlOBtvS3E |
| Name |
1-[2-(Thiophen-2-yl)ethyl]piperidin-4-yl-3-methyl benzoate |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
329.144950157 u |
| Formula |
C19H23NO2S |
| InChI |
InChI=1S/C19H23NO2S/c1-15-4-2-5-16(14-15)19(21)22-17-7-10-20(11-8-17)12-9-18-6-3-13-23-18/h2-6,13-14,17H,7-12H2,1H3 |
| InChIKey |
XVNQOTRJEVUPHJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
329.458 g/mol |
| Nominal Mass |
329 u |
| Quality |
1000 |
| Retention Index |
2686 |
| SMILES |
C1(C(OC2CCN(CC2)CCC=2SC=CC2)=O)=CC(=CC=C1)C |
| SPLASH |
splash10-001i-7490000000-b4caf9b80073aa13d54e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027131 |
![1-[2-(Thiophen-2-yl)ethyl]piperidin-4-yl-3-methyl benzoate](/api/spectrum/DoTlOBtvS3E/structure.png?h=300&w=458 "1-[2-(Thiophen-2-yl)ethyl]piperidin-4-yl-3-methyl benzoate")
