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4-benzyl-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID 2jzwQSqdA7
InChI InChI=1S/C11H14N2O2S/c1-2-15-11(14)13-10(16)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,13,14,16)
InChIKey JSCAZCQFTYZHNI-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C11H14N2O2S
Exact Mass 238.077599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7zp4AQMKQi
Name 4-BENZYL-3-THIOALLOPHANIC ACID, ETHYL ESTER
Source of Sample M.P. Groziak and L.B. Townsend, University of Michigan, College of Pharmacy, Ann Arbor, Michigan
CAS Registry Number 54035-70-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N2O2S
InChI InChI=1S/C11H14N2O2S/c1-2-15-11(14)13-10(16)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,13,14,16)
InChIKey JSCAZCQFTYZHNI-UHFFFAOYSA-N
Melting Point 105-107C
Molecular Weight 238.31
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ALLOPHANIC ACID, 4-BENZYL-3-THIO-, ETHYL ESTER