| SpectraBase Spectrum ID |
6hY4si6bZRl |
| Name |
8-Hydroxy-7-methyl-7-methylene-6-tosyloctan-3-one |
| Comments |
Note: The molecular formula of the structure shown is C17H25O4S - which differs from the formula reported for the mass spectrum (C15H18O5S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H18O5S |
| InChI |
InChI=1S/C17H25O4S/c1-5-14(19)8-11-16(17(3,4)12-18)22(20,21)15-9-6-13(2)7-10-15/h6-7,9-10,16,18H,3,5,8,11-12H2,1-2,4H3 |
| InChIKey |
CIVISXOCQUHZEZ-UHFFFAOYSA-N |
| Molecular Weight |
325.443 g/mol |
| SMILES |
OC[C](C(CCC(CC)=O)S(=O)(=O)c1ccc(C)cc1)(=C)C |
| SPLASH |
splash10-0a4r-0910000000-685a632b6a87774c1d82 |
| Source of Spectrum |
F-50-6613-16 |
| Wiley ID |
1311255 |
