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n-butyl (im)N-ethoxycarbonyl-(trideuterio)urocanate
SpectraBase Compound ID HHFhotbdrPz
InChI InChI=1S/C13H18N2O4/c1-3-5-8-19-12(16)7-6-11-9-15(10-14-11)13(17)18-4-2/h6-7,9-10H,3-5,8H2,1-2H3/b7-6+/i6D,7D,10D
InChIKey AHMKBQXQJCMZKW-WKAKJKOISA-N
Mol Weight 269.32 g/mol
Molecular Formula C13H152D3N2O4
Exact Mass 269.145487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Is7VD8FtdXn
Name n-butyl (im)N-ethoxycarbonyl-(trideuterio)urocanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15D3N2O4
InChI InChI=1S/C13H18N2O4/c1-3-5-8-19-12(16)7-6-11-9-15(10-14-11)13(17)18-4-2/h6-7,9-10H,3-5,8H2,1-2H3/b7-6+/i6D,7D,10D
InChIKey AHMKBQXQJCMZKW-WKAKJKOISA-N
Molecular Weight 269.315 g/mol
SMILES C([n]1c(nc(c1)\C(=C\(C(=O)OCCCC)[2D])[2D])[2D])(=O)OCC
SPLASH splash10-00xs-5900000000-8f073aef93215395f6e8
Source of Spectrum JC-576-217-2
Wiley ID 1269732