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tert-Butyl-4-(phenyl[(thiophen-2-yl)acetyl]amino)piperidine-1-carboxylate
SpectraBase Compound ID 33SvGkeYtLU
InChI InChI=1S/C22H28N2O3S/c1-22(2,3)27-21(26)23-13-11-18(12-14-23)24(17-8-5-4-6-9-17)20(25)16-19-10-7-15-28-19/h4-10,15,18H,11-14,16H2,1-3H3
InChIKey PMHBLTGJTIKENU-UHFFFAOYSA-N
Mol Weight 400.54 g/mol
Molecular Formula C22H28N2O3S
Exact Mass 400.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lgRxperbe4
Name tert-Butyl-4-(phenyl[(thiophen-2-yl)acetyl]amino)piperidine-1-carboxylate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 400.182063941 u
Formula C22H28N2O3S
InChI InChI=1S/C22H28N2O3S/c1-22(2,3)27-21(26)23-13-11-18(12-14-23)24(17-8-5-4-6-9-17)20(25)16-19-10-7-15-28-19/h4-10,15,18H,11-14,16H2,1-3H3
InChIKey PMHBLTGJTIKENU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 400.537 g/mol
Nominal Mass 400 u
Quality 997
Retention Index 3075
SMILES C1(N(C=2C=CC=CC2)C(CC=2SC=CC2)=O)CCN(C(OC(C)(C)C)=O)CC1
SPLASH splash10-054o-9520000000-a57e7d9f617c4de040d7
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_028982