| SpectraBase Spectrum ID |
CkZoiwQ41qu |
| Name |
Benzenepropanoic acid, .beta.-butyl-.alpha.-(methylthio)- |
| CAS Registry Number |
63049-32-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H20O2S |
| InChI |
InChI=1S/C14H20O2S/c1-3-4-10-12(13(17-2)14(15)16)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3,(H,15,16) |
| InChIKey |
ROICEYAZGCLIOV-UHFFFAOYSA-N |
| Molecular Weight |
252.372 g/mol |
| SMILES |
OC(C(C(c1ccccc1)CCCC)SC)=O |
| SPLASH |
splash10-0006-9300000000-a39d6869b1da41ec20ad |
| Source of Spectrum |
C-99-3108-0 |
| Synonyms |
2-(methylsulfanyl)-3-phenylheptanoic acid
2-(methylthio)-3-phenylheptanoic acid |
| Wiley ID |
1255495 |
