| SpectraBase Spectrum ID |
HvNCILlAloN |
| 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 © 1991-2024 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 |
| Instrument Name |
BRUKER AC-300 |
| Melting Point |
105-107C |
| Molecular Weight |
238.31 |
| Solvent |
CDCl3; Reference=TMS; Temperature 297K |
