| SpectraBase Spectrum ID |
5v4CURBZiNc |
| Name |
((1S,6R)-1,6-Dimethyl-2-trifluoromethanesulfonyloxy-cyclohex-2-enyl)-acetic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17F3O5S |
| InChI |
InChI=1S/C12H17F3O5S/c1-8-5-4-6-9(11(8,2)7-10(16)19-3)20-21(17,18)12(13,14)15/h6,8H,4-5,7H2,1-3H3/t8-,11+/m1/s1 |
| InChIKey |
HRMSUTMLOWFCFQ-KCJUWKMLSA-N |
| Molecular Weight |
330.318 g/mol |
| SMILES |
C(S(OC=1[C@@](CC(=O)OC)([C@](C)(CCC1)[H])C)(=O)=O)(F)(F)F |
| SPLASH |
splash10-0002-0900000000-529c3aa4ccb5b9a43b5f |
| Source of Spectrum |
QE-15-914-17 |
| Synonyms |
Methyl 2-[1',6'-dimethyl-2'-(trifluoromethylsulfonyloxy)cyclohex-2'-enyl]-acetate |
| Wiley ID |
1692657 |
