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Ethyl (E)-2-Benzyl-4-benzyloxy-3-ethyl-2-isocyano-3-butenoate
SpectraBase Compound ID CrM4qYaYwEw
InChI InChI=1S/C23H25NO3/c1-4-21(18-26-17-20-14-10-7-11-15-20)23(24-3,22(25)27-5-2)16-19-12-8-6-9-13-19/h6-15,18H,4-5,16-17H2,1-2H3/b21-18+
InChIKey GWDOAPYAYLOBEH-DYTRJAOYSA-N
Mol Weight 363.46 g/mol
Molecular Formula C23H25NO3
Exact Mass 363.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OK1bNX6SwW
Name Ethyl (E)-2-Benzyl-4-benzyloxy-3-ethyl-2-isocyano-3-butenoate
Alternate Name(s) Ethyl (3E)-2-benzyl-3-[(benzyloxy)methylidene]-2-isocyanopentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO3
InChI InChI=1S/C23H25NO3/c1-4-21(18-26-17-20-14-10-7-11-15-20)23(24-3,22(25)27-5-2)16-19-12-8-6-9-13-19/h6-15,18H,4-5,16-17H2,1-2H3/b21-18+
InChIKey GWDOAPYAYLOBEH-DYTRJAOYSA-N
Molecular Weight 363.457 g/mol
SMILES C([N+]#[C-])(\C(=C\OCc1ccccc1)CC)(C(=O)OCC)Cc1ccccc1
SPLASH splash10-0006-9020000000-2398d03d3fab50f49905
Source of Spectrum AJ-72-2312-7
Wiley ID 775227