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4-(3-nitro-p-cumenyl)-3-thioallophanic acid, ethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 UV-Vis

4-(3-nitro-p-cumenyl)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID 3MAcYh2c76Y
InChI InChI=1S/C13H17N3O4S/c1-4-20-13(17)15-12(21)14-9-5-6-10(8(2)3)11(7-9)16(18)19/h5-8H,4H2,1-3H3,(H2,14,15,17,21)
InChIKey MACWXYZMQBZGDA-UHFFFAOYSA-N
Mol Weight 311.36 g/mol
Molecular Formula C13H17N3O4S
Exact Mass 311.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GA4I15g0AXy
Name 4-(3-NITRO-p-CUMENYL)-3-THIOALLOPHANIC ACID, ETHYL ESTER
Source of Sample L. Grehn, University of Uppsala, Uppsala, Sweden
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O4S
InChI InChI=1S/C13H17N3O4S/c1-4-20-13(17)15-12(21)14-9-5-6-10(8(2)3)11(7-9)16(18)19/h5-8H,4H2,1-3H3,(H2,14,15,17,21)
InChIKey MACWXYZMQBZGDA-UHFFFAOYSA-N
Molecular Weight 311.36
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ALLOPHANIC ACID, 4-/3-NITRO- P-CUMENYL/-3-THIO-, ETHYL ESTER