| SpectraBase Spectrum ID |
LLmujSUCFd7 |
| Name |
Octanoic acid, 7-oxo-6-(phenylthio)- |
| CAS Registry Number |
98711-80-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O3S |
| InChI |
InChI=1S/C14H18O3S/c1-11(15)13(9-5-6-10-14(16)17)18-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,16,17) |
| InChIKey |
LWQADOMKSXMBCS-UHFFFAOYSA-N |
| Molecular Weight |
266.355 g/mol |
| SMILES |
OC(CCCCC(Sc1ccccc1)C(=O)C)=O |
| SPLASH |
splash10-01b9-0090000000-6890097498d0696e070d |
| Source of Spectrum |
KC-1985-1242-46 |
| Synonyms |
7-oxo-6-(phenylsulfanyl)octanoic acid
7-oxo-6-phenylthio-octanoic acid |
| Wiley ID |
1269821 |
