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Ethyl 3-(buta-1,3-diynyl)-4-ureidobenzoate
SpectraBase Compound ID JASEauHHShZ
InChI InChI=1S/C14H12N2O3/c1-3-5-6-10-9-11(13(17)19-4-2)7-8-12(10)16-14(15)18/h1,7-9H,4H2,2H3,(H3,15,16,18)
InChIKey VHMSZDDLNYZHDG-UHFFFAOYSA-N
Mol Weight 256.26 g/mol
Molecular Formula C14H12N2O3
Exact Mass 256.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTyBf3Vrm0G
Name Ethyl 3-(buta-1,3-diynyl)-4-ureidobenzoate
Alternate Name(s) Ethyl 3-(buta-1,3-diyn-1-yl)-4-ureidobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O3
InChI InChI=1S/C14H12N2O3/c1-3-5-6-10-9-11(13(17)19-4-2)7-8-12(10)16-14(15)18/h1,7-9H,4H2,2H3,(H3,15,16,18)
InChIKey VHMSZDDLNYZHDG-UHFFFAOYSA-N
Molecular Weight 256.261 g/mol
SMILES N(C(N)=O)c1c(cc(cc1)C(=O)OCC)C#CC#C
SPLASH splash10-07vi-0980000000-03fe7bf9bcc44856ef5b
Source of Spectrum A1-15-2616/SMS26-20
Wiley ID 1748583