| SpectraBase Spectrum ID |
4apmmfOOpMd |
| Name |
Toluene-4-sulonic acid (2'R,3'S)-3'-hydroxytetrahydropyran-2'-ylmethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O5S |
| InChI |
InChI=1S/C13H18O5S/c1-10-4-6-11(7-5-10)19(15,16)18-9-13-12(14)3-2-8-17-13/h4-7,12-14H,2-3,8-9H2,1H3/t12-,13+/m0/s1 |
| InChIKey |
YWWIPQFCDPSLDT-QWHCGFSZSA-N |
| Molecular Weight |
286.342 g/mol |
| SMILES |
O[C@@]1([C@@](COS(c2ccc(cc2)C)(=O)=O)(OCCC1)[H])[H] |
| SPLASH |
splash10-03di-0900000000-180b00da71affdacc40b |
| Source of Spectrum |
J-64-4808-12 |
| Wiley ID |
1530464 |
