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4-tert-butyl-3-thioallophanic acid, ethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

4-tert-butyl-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID C80Up74dD3Z
InChI InChI=1S/C8H16N2O2S/c1-5-12-7(11)9-6(13)10-8(2,3)4/h5H2,1-4H3,(H2,9,10,11,13)
InChIKey XMRXYRDVVXGYPX-UHFFFAOYSA-N
Mol Weight 204.29 g/mol
Molecular Formula C8H16N2O2S
Exact Mass 204.093249 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6D0oat3N0WL
Name 4-tert-BUTYL-3-THIOALLOPHANIC ACID, ETHYL ESTER
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number NH 514
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H16N2O2S
InChI InChI=1S/C8H16N2O2S/c1-5-12-7(11)9-6(13)10-8(2,3)4/h5H2,1-4H3,(H2,9,10,11,13)
InChIKey XMRXYRDVVXGYPX-UHFFFAOYSA-N
Melting Point 54-55C
Molecular Weight 204.287994
Synonyms ALLOPHANIC ACID, 4-TERT-BUTYL- 3-THIO-, ETHYL ESTER
Technique FILM (CAST FROM CHCl3)