| SpectraBase Spectrum ID |
GcWQIN3lQG0 |
| Name |
(S,R)-2-Ethoxy-1-ethynyl-1-p-toluenesulfonylcyclopropane |
| Alternate Name(s) |
Toluene-4-sulfonic acid (1S,2R)-2-ethoxy-2-ethynyl-cyclopropyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16O4S |
| InChI |
InChI=1S/C14H16O4S/c1-4-14(17-5-2)10-13(14)18-19(15,16)12-8-6-11(3)7-9-12/h1,6-9,13H,5,10H2,2-3H3/t13-,14-/m0/s1 |
| InChIKey |
IJTWQVCCNSYSDQ-KBPBESRZSA-N |
| Molecular Weight |
280.338 g/mol |
| SMILES |
[C@]1(OS(c2ccc(cc2)C)(=O)=O)([C@@](C#C)(OCC)C1)[H] |
| SPLASH |
splash10-0a4l-7900000000-dc75de0a62d3fe44dc8e |
| Source of Spectrum |
QE-2-553-23 |
| Wiley ID |
842659 |
