| SpectraBase Spectrum ID |
5FjW8JYdo9N |
| Name |
1,3-Pentanediol, 2-ethynyl-, 1-(4-methylbenzenesulfonate), [R-(R*,R*)]- |
| Alternate Name(s) |
(2R)-2-[(1R)-1-hydroxypropyl]-3-butynyl 4-methylbenzenesulfonate
(2R,3R)-(2-ethynyl-3-hydroxypentyl) toluene-p-sulphonate |
| CAS Registry Number |
116315-40-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O4S |
| InChI |
InChI=1S/C14H18O4S/c1-4-12(14(15)5-2)10-18-19(16,17)13-8-6-11(3)7-9-13/h1,6-9,12,14-15H,5,10H2,2-3H3/t12-,14-/m1/s1 |
| InChIKey |
BQKHJMLVPIMQEQ-TZMCWYRMSA-N |
| Molecular Weight |
282.354 g/mol |
| SMILES |
O[C@@]([C@](C#C)(COS(c1ccc(cc1)C)(=O)=O)[H])(CC)[H] |
| SPLASH |
splash10-0006-9100000000-824a15d83d7fed597604 |
| Source of Spectrum |
KC-1988-92-25 |
| Wiley ID |
1285601 |
![1,3-Pentanediol, 2-ethynyl-, 1-(4-methylbenzenesulfonate), [R-(R*,R*)]-](/api/spectrum/5FjW8JYdo9N/structure.png?h=300&w=458 "1,3-Pentanediol, 2-ethynyl-, 1-(4-methylbenzenesulfonate), [R-(R*,R*)]-")
