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tert-Butyl-4-[(4-methoxyphenyl)(furan-2-carbonyl)amino]piperidine-1-carboxylate
SpectraBase Compound ID 57XbVGDnMm2
InChI InChI=1S/C22H28N2O5/c1-22(2,3)29-21(26)23-13-11-17(12-14-23)24(20(25)19-6-5-15-28-19)16-7-9-18(27-4)10-8-16/h5-10,15,17H,11-14H2,1-4H3
InChIKey YOQGWQWEICFMGR-UHFFFAOYSA-N
Mol Weight 400.48 g/mol
Molecular Formula C22H28N2O5
Exact Mass 400.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoHde382VKS
Name tert-Butyl-4-[(4-methoxyphenyl)(furan-2-carbonyl)amino]piperidine-1-carboxylate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 400.199822005 u
Formula C22H28N2O5
InChI InChI=1S/C22H28N2O5/c1-22(2,3)29-21(26)23-13-11-17(12-14-23)24(20(25)19-6-5-15-28-19)16-7-9-18(27-4)10-8-16/h5-10,15,17H,11-14H2,1-4H3
InChIKey YOQGWQWEICFMGR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 400.475 g/mol
Nominal Mass 400 u
Quality 995
Retention Index 3012
SMILES C1(N(C2=CC=C(C=C2)OC)C(C=2OC=CC2)=O)CCN(C(OC(C)(C)C)=O)CC1
SPLASH splash10-0kbf-9210200000-130249079d992b26f843
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_029013