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Ethyl (E)-2-Benzyl-4-benzyloxy-2-isocyano-3-butenoate
SpectraBase Compound ID 3lq2jT2HCRV
InChI InChI=1S/C21H21NO3/c1-3-25-20(23)21(22-2,16-18-10-6-4-7-11-18)14-15-24-17-19-12-8-5-9-13-19/h4-15H,3,16-17H2,1H3/b15-14+
InChIKey FZPUPJVAYICDJU-CCEZHUSRSA-N
Mol Weight 335.4 g/mol
Molecular Formula C21H21NO3
Exact Mass 335.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UxvUwd5YjL
Name Ethyl (E)-2-Benzyl-4-benzyloxy-2-isocyano-3-butenoate
Alternate Name(s) Ethyl (3E)-2-benzyl-4-(benzyloxy)-2-isocyanobut-3-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO3
InChI InChI=1S/C21H21NO3/c1-3-25-20(23)21(22-2,16-18-10-6-4-7-11-18)14-15-24-17-19-12-8-5-9-13-19/h4-15H,3,16-17H2,1H3/b15-14+
InChIKey FZPUPJVAYICDJU-CCEZHUSRSA-N
Molecular Weight 335.403 g/mol
SMILES C([N+]#[C-])(C(=O)OCC)(\C=C\OCc1ccccc1)Cc1ccccc1
SPLASH splash10-002f-7910000000-b60720d5ab88826ae600
Source of Spectrum AJ-72-2312-7
Wiley ID 775228