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tert-Butyl-4-[phenyl(thiophene-3-carbonyl)amino]piperidine-1-carboxylate
SpectraBase Compound ID 9efVmGWPDEd
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
Mol Weight 386.51 g/mol
Molecular Formula C21H26N2O3S
Exact Mass 386.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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