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tert-Butyl-4-[(4-methoxyphenyl)(thiophene-2-carbonyl)amino]piperidine-1-carboxylate
SpectraBase Compound ID DC4vT5yVlpn
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
Mol Weight 416.54 g/mol
Molecular Formula C22H28N2O4S
Exact Mass 416.176979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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