| SpectraBase Spectrum ID |
6eRcyWgs2r9 |
| Name |
Benzenepropanoic acid, .beta.-(acetylamino)-.alpha.-(phenylthio)- |
| CAS Registry Number |
98289-65-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17NO3S |
| InChI |
InChI=1S/C17H17NO3S/c1-12(19)18-15(13-8-4-2-5-9-13)16(17(20)21)22-14-10-6-3-7-11-14/h2-11,15-16H,1H3,(H,18,19)(H,20,21) |
| InChIKey |
VMGWUTOGDCOTDZ-UHFFFAOYSA-N |
| Molecular Weight |
315.387 g/mol |
| SMILES |
N(C(C(C(=O)O)Sc1ccccc1)c1ccccc1)C(=O)C |
| SPLASH |
splash10-0a4j-0900000000-1509182f8f6f4032f0a1 |
| Source of Spectrum |
KC-1985-1043-33 |
| Synonyms |
3-Acetamido-3-phenyl-2-phenylthiopropionic acid
N-acetyl-3-phenyl-2-(phenylsulfanyl)-.beta.-alanine |
| Wiley ID |
1315951 |
