| SpectraBase Spectrum ID |
2qIneh2nkew |
| Name |
7-Oxoheptyl p-toleuenesulfonate |
| Alternate Name(s) |
7-Oxoheptyl p-toluenesulfonate
4-methylbenzenesulfonic acid 7-oxoheptyl ester
7-oxoheptyl 4-methylbenzenesulfonate
7-oxidanylideneheptyl 4-methylbenzenesulfonate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H20O4S |
| InChI |
InChI=1S/C14H20O4S/c1-13-7-9-14(10-8-13)19(16,17)18-12-6-4-2-3-5-11-15/h7-11H,2-6,12H2,1H3 |
| InChIKey |
TXAVTGHUCGFTCW-UHFFFAOYSA-N |
| Molecular Weight |
284.370 g/mol |
| SMILES |
c1(S(=O)(=O)OCCCCCCC=O)ccc(cc1)C |
| SPLASH |
splash10-00di-0900000000-bc8052bfae1c5c72f453 |
| Source of Spectrum |
F-56-7937-30 |
| Wiley ID |
858728 |
