SpectraBase Spectrum ID |
2mLkO51dHMm |
Name |
tert-Butyl-4-[phenyl(thiophene-3-carbonyl)amino]piperidine-1-carboxylate |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
386.166413876 u |
Formula |
C21H26N2O3S |
InChI |
InChI=1S/C21H26N2O3S/c1-21(2,3)26-20(25)22-12-9-18(10-13-22)23(17-7-5-4-6-8-17)19(24)16-11-14-27-15-16/h4-8,11,14-15,18H,9-10,12-13H2,1-3H3 |
InChIKey |
HDSHBSHIQAMCGR-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
386.510 g/mol |
Nominal Mass |
386 u |
Quality |
999 |
Retention Index |
2982 |
SMILES |
C1(N(C(C=2C=CSC2)=O)C2=CC=CC=C2)CCN(C(OC(C)(C)C)=O)CC1 |
SPLASH |
splash10-08i0-7921000000-b926ead753134abbab8d |
Sample Comments |
Structure uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Technique |
GC/MS |
Wiley ID |
DD2024_028981 |