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4-(o-cumenyl)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID 8oeYyk1ta1d
InChI InChI=1S/C13H18N2O2S/c1-4-17-13(16)15-12(18)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(H2,14,15,16,18)
InChIKey IPINNYIFXSIGBW-UHFFFAOYSA-N
Mol Weight 266.36 g/mol
Molecular Formula C13H18N2O2S
Exact Mass 266.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EIhEJeus2Kq
Name 4-(o-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 C13H18N2O2S
InChI InChI=1S/C13H18N2O2S/c1-4-17-13(16)15-12(18)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(H2,14,15,16,18)
InChIKey IPINNYIFXSIGBW-UHFFFAOYSA-N
Melting Point 126-126.5C
Molecular Weight 266.36
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ALLOPHANIC ACID, 4-/O-CUMENYL/- 3-THIO-, ETHYL ESTER