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N-(2-Allylthiophenyl)-N-benzyl-2-diazomalonamic acid ethyl ester
SpectraBase Compound ID 5UwsefLwVIa
InChI InChI=1S/C21H21N3O3S/c1-3-14-28-18-13-9-8-12-17(18)24(15-16-10-6-5-7-11-16)20(25)19(23-22)21(26)27-4-2/h3,5-13H,1,4,14-15H2,2H3
InChIKey PXGISKJXVWYGCC-UHFFFAOYSA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ix5VWkYXt6v
Name N-(2-Allylthiophenyl)-N-benzyl-2-diazomalonamic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O3S
InChI InChI=1S/C21H21N3O3S/c1-3-14-28-18-13-9-8-12-17(18)24(15-16-10-6-5-7-11-16)20(25)19(23-22)21(26)27-4-2/h3,5-13H,1,4,14-15H2,2H3
InChIKey PXGISKJXVWYGCC-UHFFFAOYSA-N
Molecular Weight 395.477 g/mol
SMILES C(C(C(=O)N(Cc1ccccc1)c1c(cccc1)SCC=C)=[N+]=[N-])(=O)OCC
SPLASH splash10-0006-9013000000-2cf6ed16007e2f35117e
Source of Spectrum F-54-9696-1
Synonyms Ethyl 3-[2-(allylsulfanyl)(benzyl)anilino]-2-diazo-3-oxopropanoate
Wiley ID 808185