SpectraBase Spectrum ID |
5X7T8hTqCIa |
Name |
tert-Butyl-4-[(4-methoxyphenyl)(thiophene-2-carbonyl)amino]piperidine-1-carboxylate |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
416.176978560 u |
Formula |
C22H28N2O4S |
InChI |
InChI=1S/C22H28N2O4S/c1-22(2,3)28-21(26)23-13-11-17(12-14-23)24(20(25)19-6-5-15-29-19)16-7-9-18(27-4)10-8-16/h5-10,15,17H,11-14H2,1-4H3 |
InChIKey |
RMIRACIXOSTWEL-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
416.536 g/mol |
Nominal Mass |
416 u |
Quality |
995 |
Retention Index |
3235 |
SMILES |
C1(N(C2=CC=C(C=C2)OC)C(C=2SC=CC2)=O)CCN(C(OC(C)(C)C)=O)CC1 |
SPLASH |
splash10-07vl-9610400000-7eb86d8fea0bb0662be6 |
Sample Comments |
Structure uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Technique |
GC/MS |
Wiley ID |
DD2024_029015 |